USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 844 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 49 THR OG1 : rot -62:sc= 0.0477 USER MOD Set 1.2: B 51 THR OG1 : rot 60:sc= 0.982 USER MOD Set 2.1: B 44 THR OG1 : rot 44:sc= 1.74 USER MOD Set 2.2: B 53 THR OG1 : rot 113:sc= 1.88! USER MOD Set 3.1: B 1 MET CE :methyl -169:sc= -5.29 (180deg=-3.8!) USER MOD Set 3.2: B 3 TYR OH : rot 180:sc= -2.66 USER MOD Set 4.1: A 49 THR OG1 : rot -63:sc= 0.0462 USER MOD Set 4.2: A 51 THR OG1 : rot 62:sc= 0.978 USER MOD Set 5.1: A 44 THR OG1 : rot 35:sc= 1.67 USER MOD Set 5.2: A 53 THR OG1 : rot 112:sc= 1.86 USER MOD Set 6.1: A 1 MET CE :methyl -171:sc= -5.32 (180deg=-3.61!) USER MOD Set 6.2: A 3 TYR OH : rot 180:sc= -2.66 USER MOD Single : A 1 MET N :NH3+ 157:sc= 0.216 (180deg=0.139) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 179:sc= -1.39! (180deg=-1.52!) USER MOD Single : A 8 ASN : amide:sc= -5.41! C(o=-5.4!,f=-11!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot -150:sc= -3.99! USER MOD Single : A 13 LYS NZ :NH3+ -143:sc= 0.235 (180deg=-0.042) USER MOD Single : A 16 THR OG1 : rot 130:sc= -4.42! USER MOD Single : A 17 THR OG1 : rot 32:sc= 0.257 USER MOD Single : A 18 THR OG1 : rot 35:sc= -1.48 USER MOD Single : A 25 THR OG1 : rot -28:sc= -1.47! USER MOD Single : A 28 LYS NZ :NH3+ 144:sc= -2.68! (180deg=-4.99!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.269 X(o=-0.27,f=-0.17) USER MOD Single : A 35 ASN : amide:sc= -3.77! C(o=-3.8!,f=-4.7!) USER MOD Single : A 37 ASN : amide:sc= -8.41! C(o=-8.4!,f=-8.8!) USER MOD Single : A 45 TYR OH : rot 84:sc= -0.532 USER MOD Single : A 50 LYS NZ :NH3+ -170:sc=-0.00894 (180deg=-0.179) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET N :NH3+ 155:sc= 0.211 (180deg=0.138) USER MOD Single : B 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 4 LYS NZ :NH3+ -174:sc= -1.38! (180deg=-1.5!) USER MOD Single : B 8 ASN : amide:sc= -5.41! C(o=-5.4!,f=-11!) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 THR OG1 : rot -153:sc= -3.97! USER MOD Single : B 13 LYS NZ :NH3+ -143:sc= 0.237 (180deg=-0.0425) USER MOD Single : B 16 THR OG1 : rot 130:sc= -4.4! USER MOD Single : B 17 THR OG1 : rot 30:sc= 0.329 USER MOD Single : B 18 THR OG1 : rot 36:sc= -1.48 USER MOD Single : B 25 THR OG1 : rot -25:sc= -1.47! USER MOD Single : B 28 LYS NZ :NH3+ 145:sc= -2.68! (180deg=-4.84!) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 GLN : amide:sc= -0.342 X(o=-0.34,f=-0.2) USER MOD Single : B 35 ASN : amide:sc= -3.68! C(o=-3.7!,f=-4.6!) USER MOD Single : B 37 ASN : amide:sc= -8.25! C(o=-8.3!,f=-8.8!) USER MOD Single : B 45 TYR OH : rot 84:sc= -0.539 USER MOD Single : B 50 LYS NZ :NH3+ -170:sc= -0.0083 (180deg=-0.182) USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.871 -18.907 1.932 1.00 0.00 N ATOM 2 CA MET A 1 6.933 -18.073 1.311 1.00 0.00 C ATOM 3 C MET A 1 6.603 -16.588 1.431 1.00 0.00 C ATOM 4 O MET A 1 5.477 -16.219 1.766 1.00 0.00 O ATOM 5 CB MET A 1 7.069 -18.479 -0.160 1.00 0.00 C ATOM 6 CG MET A 1 8.174 -17.740 -0.901 1.00 0.00 C ATOM 7 SD MET A 1 8.431 -18.365 -2.572 1.00 0.00 S ATOM 8 CE MET A 1 6.806 -18.112 -3.280 1.00 0.00 C ATOM 0 H1 MET A 1 5.895 -19.862 1.521 1.00 0.00 H new ATOM 0 H2 MET A 1 6.032 -18.967 2.958 1.00 0.00 H new ATOM 0 H3 MET A 1 4.942 -18.476 1.752 1.00 0.00 H new ATOM 0 HA MET A 1 7.877 -18.238 1.831 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.261 -19.551 -0.215 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.121 -18.298 -0.666 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.927 -16.679 -0.948 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.104 -17.826 -0.338 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.756 -18.593 -4.257 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.051 -18.545 -2.623 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.620 -17.044 -3.392 1.00 0.00 H new ATOM 20 N GLN A 2 7.584 -15.741 1.143 1.00 0.00 N ATOM 21 CA GLN A 2 7.392 -14.299 1.207 1.00 0.00 C ATOM 22 C GLN A 2 7.203 -13.724 -0.192 1.00 0.00 C ATOM 23 O GLN A 2 7.862 -14.148 -1.141 1.00 0.00 O ATOM 24 CB GLN A 2 8.588 -13.630 1.890 1.00 0.00 C ATOM 25 CG GLN A 2 8.465 -12.118 1.991 1.00 0.00 C ATOM 26 CD GLN A 2 9.666 -11.478 2.658 1.00 0.00 C ATOM 27 OE1 GLN A 2 10.795 -11.601 2.183 1.00 0.00 O ATOM 28 NE2 GLN A 2 9.428 -10.787 3.767 1.00 0.00 N ATOM 0 H GLN A 2 8.521 -16.029 0.863 1.00 0.00 H new ATOM 0 HA GLN A 2 6.495 -14.099 1.793 1.00 0.00 H new ATOM 0 HB2 GLN A 2 8.702 -14.044 2.892 1.00 0.00 H new ATOM 0 HB3 GLN A 2 9.495 -13.876 1.338 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.343 -11.700 0.992 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.565 -11.867 2.553 1.00 0.00 H new ATOM 0 HE21 GLN A 2 8.476 -10.711 4.126 1.00 0.00 H new ATOM 0 HE22 GLN A 2 10.197 -10.333 4.260 1.00 0.00 H new ATOM 37 N TYR A 3 6.303 -12.758 -0.313 1.00 0.00 N ATOM 38 CA TYR A 3 6.033 -12.128 -1.598 1.00 0.00 C ATOM 39 C TYR A 3 6.190 -10.619 -1.495 1.00 0.00 C ATOM 40 O TYR A 3 5.904 -10.026 -0.456 1.00 0.00 O ATOM 41 CB TYR A 3 4.630 -12.489 -2.083 1.00 0.00 C ATOM 42 CG TYR A 3 4.455 -13.966 -2.351 1.00 0.00 C ATOM 43 CD1 TYR A 3 4.564 -14.895 -1.325 1.00 0.00 C ATOM 44 CD2 TYR A 3 4.186 -14.430 -3.631 1.00 0.00 C ATOM 45 CE1 TYR A 3 4.410 -16.248 -1.568 1.00 0.00 C ATOM 46 CE2 TYR A 3 4.030 -15.780 -3.883 1.00 0.00 C ATOM 47 CZ TYR A 3 4.144 -16.684 -2.848 1.00 0.00 C ATOM 48 OH TYR A 3 3.992 -18.031 -3.094 1.00 0.00 O ATOM 0 H TYR A 3 5.748 -12.394 0.462 1.00 0.00 H new ATOM 0 HA TYR A 3 6.756 -12.499 -2.324 1.00 0.00 H new ATOM 0 HB2 TYR A 3 3.902 -12.173 -1.336 1.00 0.00 H new ATOM 0 HB3 TYR A 3 4.413 -11.933 -2.995 1.00 0.00 H new ATOM 0 HD1 TYR A 3 4.772 -14.556 -0.321 1.00 0.00 H new ATOM 0 HD2 TYR A 3 4.097 -13.724 -4.444 1.00 0.00 H new ATOM 0 HE1 TYR A 3 4.498 -16.959 -0.759 1.00 0.00 H new ATOM 0 HE2 TYR A 3 3.820 -16.125 -4.885 1.00 0.00 H new ATOM 0 HH TYR A 3 3.808 -18.171 -4.046 1.00 0.00 H new ATOM 58 N LYS A 4 6.659 -10.002 -2.573 1.00 0.00 N ATOM 59 CA LYS A 4 6.864 -8.561 -2.587 1.00 0.00 C ATOM 60 C LYS A 4 5.797 -7.881 -3.437 1.00 0.00 C ATOM 61 O LYS A 4 5.803 -7.991 -4.662 1.00 0.00 O ATOM 62 CB LYS A 4 8.263 -8.238 -3.120 1.00 0.00 C ATOM 63 CG LYS A 4 8.763 -6.856 -2.736 1.00 0.00 C ATOM 64 CD LYS A 4 10.189 -6.632 -3.219 1.00 0.00 C ATOM 65 CE LYS A 4 10.825 -5.428 -2.543 1.00 0.00 C ATOM 66 NZ LYS A 4 10.023 -4.191 -2.737 1.00 0.00 N ATOM 0 H LYS A 4 6.903 -10.475 -3.443 1.00 0.00 H new ATOM 0 HA LYS A 4 6.781 -8.182 -1.568 1.00 0.00 H new ATOM 0 HB2 LYS A 4 8.965 -8.984 -2.747 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.256 -8.322 -4.207 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.108 -6.097 -3.164 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.721 -6.739 -1.653 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.786 -7.521 -3.017 1.00 0.00 H new ATOM 0 HD3 LYS A 4 10.189 -6.486 -4.299 1.00 0.00 H new ATOM 0 HE2 LYS A 4 10.933 -5.626 -1.477 1.00 0.00 H new ATOM 0 HE3 LYS A 4 11.828 -5.276 -2.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 10.483 -3.398 -2.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.955 -3.977 -3.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.069 -4.332 -2.348 1.00 0.00 H new ATOM 80 N VAL A 5 4.877 -7.184 -2.781 1.00 0.00 N ATOM 81 CA VAL A 5 3.800 -6.499 -3.478 1.00 0.00 C ATOM 82 C VAL A 5 4.156 -5.040 -3.745 1.00 0.00 C ATOM 83 O VAL A 5 4.348 -4.248 -2.824 1.00 0.00 O ATOM 84 CB VAL A 5 2.477 -6.575 -2.687 1.00 0.00 C ATOM 85 CG1 VAL A 5 1.353 -5.868 -3.434 1.00 0.00 C ATOM 86 CG2 VAL A 5 2.110 -8.026 -2.403 1.00 0.00 C ATOM 0 H VAL A 5 4.857 -7.079 -1.767 1.00 0.00 H new ATOM 0 HA VAL A 5 3.664 -7.008 -4.432 1.00 0.00 H new ATOM 0 HB VAL A 5 2.619 -6.063 -1.735 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.432 -5.936 -2.855 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.615 -4.820 -3.577 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.207 -6.342 -4.405 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.175 -8.062 -1.845 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.991 -8.562 -3.345 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.901 -8.493 -1.816 1.00 0.00 H new ATOM 96 N ILE A 6 4.241 -4.706 -5.023 1.00 0.00 N ATOM 97 CA ILE A 6 4.571 -3.355 -5.455 1.00 0.00 C ATOM 98 C ILE A 6 3.303 -2.550 -5.736 1.00 0.00 C ATOM 99 O ILE A 6 2.390 -3.023 -6.409 1.00 0.00 O ATOM 100 CB ILE A 6 5.470 -3.394 -6.710 1.00 0.00 C ATOM 101 CG1 ILE A 6 6.815 -4.036 -6.365 1.00 0.00 C ATOM 102 CG2 ILE A 6 5.684 -2.002 -7.288 1.00 0.00 C ATOM 103 CD1 ILE A 6 7.717 -4.235 -7.562 1.00 0.00 C ATOM 0 H ILE A 6 4.084 -5.361 -5.789 1.00 0.00 H new ATOM 0 HA ILE A 6 5.117 -2.864 -4.649 1.00 0.00 H new ATOM 0 HB ILE A 6 4.966 -3.993 -7.469 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.329 -3.412 -5.634 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.636 -5.001 -5.891 1.00 0.00 H new ATOM 0 HG21 ILE A 6 6.321 -2.068 -8.170 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.722 -1.572 -7.567 1.00 0.00 H new ATOM 0 HG23 ILE A 6 6.162 -1.368 -6.542 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.652 -4.694 -7.241 1.00 0.00 H new ATOM 0 HD12 ILE A 6 7.224 -4.884 -8.286 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.927 -3.270 -8.024 1.00 0.00 H new ATOM 115 N LEU A 7 3.246 -1.337 -5.194 1.00 0.00 N ATOM 116 CA LEU A 7 2.084 -0.472 -5.369 1.00 0.00 C ATOM 117 C LEU A 7 2.440 0.747 -6.222 1.00 0.00 C ATOM 118 O LEU A 7 3.124 1.658 -5.761 1.00 0.00 O ATOM 119 CB LEU A 7 1.571 -0.031 -3.993 1.00 0.00 C ATOM 120 CG LEU A 7 1.595 -1.121 -2.924 1.00 0.00 C ATOM 121 CD1 LEU A 7 1.075 -0.578 -1.602 1.00 0.00 C ATOM 122 CD2 LEU A 7 0.780 -2.322 -3.378 1.00 0.00 C ATOM 0 H LEU A 7 3.992 -0.931 -4.629 1.00 0.00 H new ATOM 0 HA LEU A 7 1.301 -1.026 -5.887 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.173 0.810 -3.648 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.549 0.331 -4.100 1.00 0.00 H new ATOM 0 HG LEU A 7 2.625 -1.445 -2.775 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.098 -1.367 -0.850 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.703 0.252 -1.277 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.050 -0.229 -1.730 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.806 -3.092 -2.607 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.252 -2.017 -3.552 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.201 -2.720 -4.301 1.00 0.00 H new ATOM 134 N ASN A 8 1.983 0.751 -7.477 1.00 0.00 N ATOM 135 CA ASN A 8 2.270 1.855 -8.396 1.00 0.00 C ATOM 136 C ASN A 8 1.021 2.669 -8.715 1.00 0.00 C ATOM 137 O ASN A 8 0.128 2.199 -9.414 1.00 0.00 O ATOM 138 CB ASN A 8 2.866 1.318 -9.699 1.00 0.00 C ATOM 139 CG ASN A 8 4.115 0.496 -9.468 1.00 0.00 C ATOM 140 OD1 ASN A 8 4.072 -0.539 -8.810 1.00 0.00 O ATOM 141 ND2 ASN A 8 5.237 0.955 -10.013 1.00 0.00 N ATOM 0 H ASN A 8 1.415 0.005 -7.879 1.00 0.00 H new ATOM 0 HA ASN A 8 2.987 2.509 -7.899 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.122 0.707 -10.211 1.00 0.00 H new ATOM 0 HB3 ASN A 8 3.101 2.153 -10.359 1.00 0.00 H new ATOM 0 HD21 ASN A 8 6.110 0.442 -9.892 1.00 0.00 H new ATOM 0 HD22 ASN A 8 5.225 1.821 -10.552 1.00 0.00 H new ATOM 148 N GLY A 9 0.964 3.898 -8.211 1.00 0.00 N ATOM 149 CA GLY A 9 -0.182 4.750 -8.472 1.00 0.00 C ATOM 150 C GLY A 9 0.183 5.977 -9.282 1.00 0.00 C ATOM 151 O GLY A 9 1.284 6.068 -9.824 1.00 0.00 O ATOM 0 H GLY A 9 1.688 4.318 -7.628 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.942 4.179 -9.005 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.623 5.061 -7.525 1.00 0.00 H new ATOM 155 N LYS A 10 -0.743 6.925 -9.361 1.00 0.00 N ATOM 156 CA LYS A 10 -0.513 8.155 -10.107 1.00 0.00 C ATOM 157 C LYS A 10 0.392 9.099 -9.326 1.00 0.00 C ATOM 158 O LYS A 10 1.431 9.535 -9.823 1.00 0.00 O ATOM 159 CB LYS A 10 -1.844 8.848 -10.412 1.00 0.00 C ATOM 160 CG LYS A 10 -2.804 7.993 -11.223 1.00 0.00 C ATOM 161 CD LYS A 10 -4.112 8.721 -11.491 1.00 0.00 C ATOM 162 CE LYS A 10 -4.832 9.072 -10.199 1.00 0.00 C ATOM 163 NZ LYS A 10 -6.125 9.765 -10.453 1.00 0.00 N ATOM 0 H LYS A 10 -1.660 6.865 -8.918 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.021 7.896 -11.045 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.323 9.126 -9.473 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.647 9.772 -10.955 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.338 7.720 -12.170 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.006 7.065 -10.688 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.913 9.632 -12.056 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.757 8.096 -12.109 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.014 8.162 -9.627 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.192 9.710 -9.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.584 9.987 -9.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.950 10.646 -10.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.746 9.147 -11.013 1.00 0.00 H new ATOM 177 N THR A 11 -0.016 9.417 -8.102 1.00 0.00 N ATOM 178 CA THR A 11 0.735 10.314 -7.247 1.00 0.00 C ATOM 179 C THR A 11 1.397 9.560 -6.101 1.00 0.00 C ATOM 180 O THR A 11 1.955 10.169 -5.189 1.00 0.00 O ATOM 181 CB THR A 11 -0.205 11.373 -6.679 1.00 0.00 C ATOM 182 OG1 THR A 11 -1.426 10.784 -6.267 1.00 0.00 O ATOM 183 CG2 THR A 11 -0.534 12.479 -7.655 1.00 0.00 C ATOM 0 H THR A 11 -0.873 9.059 -7.681 1.00 0.00 H new ATOM 0 HA THR A 11 1.517 10.783 -7.844 1.00 0.00 H new ATOM 0 HB THR A 11 0.331 11.811 -5.837 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.152 11.436 -6.361 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.206 13.194 -7.181 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.384 12.986 -7.953 1.00 0.00 H new ATOM 0 HG23 THR A 11 -1.017 12.055 -8.536 1.00 0.00 H new ATOM 191 N LEU A 12 1.325 8.236 -6.141 1.00 0.00 N ATOM 192 CA LEU A 12 1.913 7.427 -5.090 1.00 0.00 C ATOM 193 C LEU A 12 2.614 6.197 -5.654 1.00 0.00 C ATOM 194 O LEU A 12 2.104 5.530 -6.554 1.00 0.00 O ATOM 195 CB LEU A 12 0.842 7.014 -4.083 1.00 0.00 C ATOM 196 CG LEU A 12 1.349 6.170 -2.920 1.00 0.00 C ATOM 197 CD1 LEU A 12 2.533 6.859 -2.270 1.00 0.00 C ATOM 198 CD2 LEU A 12 0.239 5.929 -1.907 1.00 0.00 C ATOM 0 H LEU A 12 0.869 7.706 -6.884 1.00 0.00 H new ATOM 0 HA LEU A 12 2.665 8.032 -4.584 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.373 7.913 -3.684 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.066 6.456 -4.607 1.00 0.00 H new ATOM 0 HG LEU A 12 1.670 5.199 -3.298 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.894 6.254 -1.438 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.330 6.981 -3.003 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.227 7.838 -1.901 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.622 5.324 -1.085 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.115 6.885 -1.521 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.586 5.405 -2.389 1.00 0.00 H new ATOM 210 N LYS A 13 3.785 5.903 -5.100 1.00 0.00 N ATOM 211 CA LYS A 13 4.568 4.750 -5.519 1.00 0.00 C ATOM 212 C LYS A 13 5.291 4.142 -4.325 1.00 0.00 C ATOM 213 O LYS A 13 5.705 4.857 -3.414 1.00 0.00 O ATOM 214 CB LYS A 13 5.584 5.142 -6.596 1.00 0.00 C ATOM 215 CG LYS A 13 4.974 5.887 -7.770 1.00 0.00 C ATOM 216 CD LYS A 13 4.891 7.383 -7.505 1.00 0.00 C ATOM 217 CE LYS A 13 4.260 8.122 -8.675 1.00 0.00 C ATOM 218 NZ LYS A 13 4.158 9.585 -8.419 1.00 0.00 N ATOM 0 H LYS A 13 4.214 6.452 -4.355 1.00 0.00 H new ATOM 0 HA LYS A 13 3.885 4.012 -5.939 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.357 5.764 -6.144 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.075 4.241 -6.964 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.571 5.708 -8.664 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.976 5.497 -7.970 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.307 7.562 -6.602 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.890 7.777 -7.321 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.852 7.951 -9.574 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.266 7.717 -8.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.272 9.947 -8.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.166 9.759 -7.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.965 10.072 -8.860 1.00 0.00 H new ATOM 232 N GLY A 14 5.444 2.823 -4.331 1.00 0.00 N ATOM 233 CA GLY A 14 6.120 2.162 -3.232 1.00 0.00 C ATOM 234 C GLY A 14 6.193 0.661 -3.403 1.00 0.00 C ATOM 235 O GLY A 14 5.917 0.135 -4.480 1.00 0.00 O ATOM 0 H GLY A 14 5.115 2.204 -5.072 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.130 2.562 -3.140 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.601 2.392 -2.302 1.00 0.00 H new ATOM 239 N GLU A 15 6.565 -0.027 -2.332 1.00 0.00 N ATOM 240 CA GLU A 15 6.674 -1.478 -2.357 1.00 0.00 C ATOM 241 C GLU A 15 6.390 -2.061 -0.977 1.00 0.00 C ATOM 242 O GLU A 15 6.690 -1.444 0.044 1.00 0.00 O ATOM 243 CB GLU A 15 8.062 -1.895 -2.843 1.00 0.00 C ATOM 244 CG GLU A 15 8.434 -1.285 -4.187 1.00 0.00 C ATOM 245 CD GLU A 15 9.797 -1.727 -4.681 1.00 0.00 C ATOM 246 OE1 GLU A 15 9.975 -2.937 -4.935 1.00 0.00 O ATOM 247 OE2 GLU A 15 10.689 -0.861 -4.815 1.00 0.00 O ATOM 0 H GLU A 15 6.797 0.398 -1.434 1.00 0.00 H new ATOM 0 HA GLU A 15 5.931 -1.871 -3.051 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.804 -1.601 -2.100 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.102 -2.982 -2.921 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.680 -1.558 -4.925 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.419 -0.198 -4.103 1.00 0.00 H new ATOM 254 N THR A 16 5.790 -3.244 -0.959 1.00 0.00 N ATOM 255 CA THR A 16 5.437 -3.914 0.288 1.00 0.00 C ATOM 256 C THR A 16 5.659 -5.424 0.180 1.00 0.00 C ATOM 257 O THR A 16 5.932 -5.937 -0.903 1.00 0.00 O ATOM 258 CB THR A 16 3.988 -3.589 0.661 1.00 0.00 C ATOM 259 OG1 THR A 16 3.483 -4.545 1.559 1.00 0.00 O ATOM 260 CG2 THR A 16 3.049 -3.528 -0.526 1.00 0.00 C ATOM 0 H THR A 16 5.536 -3.763 -1.799 1.00 0.00 H new ATOM 0 HA THR A 16 6.088 -3.547 1.081 1.00 0.00 H new ATOM 0 HB THR A 16 4.026 -2.598 1.113 1.00 0.00 H new ATOM 0 HG1 THR A 16 3.075 -4.090 2.325 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.042 -3.293 -0.182 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.386 -2.755 -1.217 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.043 -4.492 -1.035 1.00 0.00 H new ATOM 268 N THR A 17 5.574 -6.131 1.310 1.00 0.00 N ATOM 269 CA THR A 17 5.801 -7.579 1.313 1.00 0.00 C ATOM 270 C THR A 17 4.858 -8.334 2.256 1.00 0.00 C ATOM 271 O THR A 17 4.858 -8.110 3.465 1.00 0.00 O ATOM 272 CB THR A 17 7.247 -7.875 1.709 1.00 0.00 C ATOM 273 OG1 THR A 17 7.556 -7.278 2.956 1.00 0.00 O ATOM 274 CG2 THR A 17 8.257 -7.379 0.696 1.00 0.00 C ATOM 0 H THR A 17 5.353 -5.732 2.222 1.00 0.00 H new ATOM 0 HA THR A 17 5.597 -7.929 0.301 1.00 0.00 H new ATOM 0 HB THR A 17 7.317 -8.961 1.764 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.753 -7.257 3.517 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.264 -7.621 1.037 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.074 -7.860 -0.265 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.161 -6.299 0.585 1.00 0.00 H new ATOM 282 N THR A 18 4.073 -9.246 1.681 1.00 0.00 N ATOM 283 CA THR A 18 3.136 -10.069 2.445 1.00 0.00 C ATOM 284 C THR A 18 3.657 -11.503 2.540 1.00 0.00 C ATOM 285 O THR A 18 4.229 -12.028 1.586 1.00 0.00 O ATOM 286 CB THR A 18 1.759 -10.070 1.774 1.00 0.00 C ATOM 287 OG1 THR A 18 0.814 -10.741 2.586 1.00 0.00 O ATOM 288 CG2 THR A 18 1.753 -10.734 0.413 1.00 0.00 C ATOM 0 H THR A 18 4.069 -9.434 0.678 1.00 0.00 H new ATOM 0 HA THR A 18 3.044 -9.650 3.447 1.00 0.00 H new ATOM 0 HB THR A 18 1.497 -9.020 1.644 1.00 0.00 H new ATOM 0 HG1 THR A 18 1.020 -10.578 3.530 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.747 -10.699 -0.004 1.00 0.00 H new ATOM 0 HG22 THR A 18 2.440 -10.209 -0.251 1.00 0.00 H new ATOM 0 HG23 THR A 18 2.068 -11.773 0.513 1.00 0.00 H new ATOM 296 N GLU A 19 3.447 -12.135 3.687 1.00 0.00 N ATOM 297 CA GLU A 19 3.888 -13.512 3.900 1.00 0.00 C ATOM 298 C GLU A 19 2.704 -14.464 3.770 1.00 0.00 C ATOM 299 O GLU A 19 1.793 -14.441 4.598 1.00 0.00 O ATOM 300 CB GLU A 19 4.529 -13.648 5.283 1.00 0.00 C ATOM 301 CG GLU A 19 4.942 -15.067 5.641 1.00 0.00 C ATOM 302 CD GLU A 19 5.995 -15.627 4.706 1.00 0.00 C ATOM 303 OE1 GLU A 19 7.063 -14.993 4.568 1.00 0.00 O ATOM 304 OE2 GLU A 19 5.757 -16.704 4.123 1.00 0.00 O ATOM 0 H GLU A 19 2.973 -11.717 4.488 1.00 0.00 H new ATOM 0 HA GLU A 19 4.629 -13.769 3.144 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.407 -13.003 5.329 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.827 -13.285 6.034 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.324 -15.082 6.662 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.064 -15.712 5.620 1.00 0.00 H new ATOM 311 N ALA A 20 2.702 -15.294 2.727 1.00 0.00 N ATOM 312 CA ALA A 20 1.605 -16.229 2.511 1.00 0.00 C ATOM 313 C ALA A 20 2.084 -17.541 1.890 1.00 0.00 C ATOM 314 O ALA A 20 3.075 -17.582 1.162 1.00 0.00 O ATOM 315 CB ALA A 20 0.541 -15.590 1.631 1.00 0.00 C ATOM 0 H ALA A 20 3.442 -15.336 2.026 1.00 0.00 H new ATOM 0 HA ALA A 20 1.178 -16.466 3.485 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.275 -16.296 1.475 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.157 -14.693 2.118 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.977 -15.322 0.669 1.00 0.00 H new ATOM 321 N VAL A 21 1.370 -18.615 2.215 1.00 0.00 N ATOM 322 CA VAL A 21 1.703 -19.954 1.731 1.00 0.00 C ATOM 323 C VAL A 21 1.890 -19.988 0.213 1.00 0.00 C ATOM 324 O VAL A 21 2.627 -20.826 -0.308 1.00 0.00 O ATOM 325 CB VAL A 21 0.606 -20.965 2.114 1.00 0.00 C ATOM 326 CG1 VAL A 21 1.044 -22.383 1.781 1.00 0.00 C ATOM 327 CG2 VAL A 21 0.253 -20.838 3.586 1.00 0.00 C ATOM 0 H VAL A 21 0.548 -18.584 2.818 1.00 0.00 H new ATOM 0 HA VAL A 21 2.645 -20.227 2.206 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.287 -20.741 1.531 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.255 -23.082 2.059 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.238 -22.462 0.711 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.953 -22.622 2.334 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.524 -21.560 3.838 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.139 -21.032 4.191 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.110 -19.830 3.787 1.00 0.00 H new ATOM 337 N ASP A 22 1.230 -19.079 -0.494 1.00 0.00 N ATOM 338 CA ASP A 22 1.346 -19.025 -1.949 1.00 0.00 C ATOM 339 C ASP A 22 1.040 -17.630 -2.485 1.00 0.00 C ATOM 340 O ASP A 22 0.692 -16.726 -1.728 1.00 0.00 O ATOM 341 CB ASP A 22 0.424 -20.058 -2.602 1.00 0.00 C ATOM 342 CG ASP A 22 -1.042 -19.779 -2.348 1.00 0.00 C ATOM 343 OD1 ASP A 22 -1.538 -18.739 -2.827 1.00 0.00 O ATOM 344 OD2 ASP A 22 -1.696 -20.601 -1.670 1.00 0.00 O ATOM 0 H ASP A 22 0.614 -18.374 -0.090 1.00 0.00 H new ATOM 0 HA ASP A 22 2.379 -19.262 -2.204 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.606 -20.072 -3.677 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.671 -21.050 -2.224 1.00 0.00 H new ATOM 349 N ALA A 23 1.181 -17.462 -3.797 1.00 0.00 N ATOM 350 CA ALA A 23 0.928 -16.176 -4.436 1.00 0.00 C ATOM 351 C ALA A 23 -0.512 -15.733 -4.235 1.00 0.00 C ATOM 352 O ALA A 23 -0.774 -14.567 -3.944 1.00 0.00 O ATOM 353 CB ALA A 23 1.263 -16.245 -5.919 1.00 0.00 C ATOM 0 H ALA A 23 1.469 -18.201 -4.438 1.00 0.00 H new ATOM 0 HA ALA A 23 1.574 -15.435 -3.965 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.069 -15.277 -6.381 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.315 -16.502 -6.043 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.645 -17.006 -6.396 1.00 0.00 H new ATOM 359 N ALA A 24 -1.444 -16.665 -4.385 1.00 0.00 N ATOM 360 CA ALA A 24 -2.856 -16.354 -4.205 1.00 0.00 C ATOM 361 C ALA A 24 -3.107 -15.894 -2.779 1.00 0.00 C ATOM 362 O ALA A 24 -3.632 -14.804 -2.552 1.00 0.00 O ATOM 363 CB ALA A 24 -3.718 -17.562 -4.542 1.00 0.00 C ATOM 0 H ALA A 24 -1.250 -17.636 -4.629 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.128 -15.547 -4.885 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.769 -17.310 -4.401 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.550 -17.851 -5.579 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.453 -18.392 -3.887 1.00 0.00 H new ATOM 369 N THR A 25 -2.701 -16.717 -1.818 1.00 0.00 N ATOM 370 CA THR A 25 -2.853 -16.377 -0.417 1.00 0.00 C ATOM 371 C THR A 25 -2.256 -15.002 -0.166 1.00 0.00 C ATOM 372 O THR A 25 -2.876 -14.145 0.462 1.00 0.00 O ATOM 373 CB THR A 25 -2.164 -17.427 0.453 1.00 0.00 C ATOM 374 OG1 THR A 25 -0.799 -17.552 0.100 1.00 0.00 O ATOM 375 CG2 THR A 25 -2.793 -18.800 0.350 1.00 0.00 C ATOM 0 H THR A 25 -2.265 -17.623 -1.989 1.00 0.00 H new ATOM 0 HA THR A 25 -3.912 -16.358 -0.158 1.00 0.00 H new ATOM 0 HB THR A 25 -2.277 -17.071 1.477 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.683 -17.323 -0.846 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.254 -19.496 0.993 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.835 -18.747 0.665 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.743 -19.147 -0.682 1.00 0.00 H new ATOM 383 N ALA A 26 -1.058 -14.785 -0.705 1.00 0.00 N ATOM 384 CA ALA A 26 -0.397 -13.498 -0.579 1.00 0.00 C ATOM 385 C ALA A 26 -1.277 -12.431 -1.210 1.00 0.00 C ATOM 386 O ALA A 26 -1.642 -11.448 -0.567 1.00 0.00 O ATOM 387 CB ALA A 26 0.972 -13.530 -1.242 1.00 0.00 C ATOM 0 H ALA A 26 -0.531 -15.483 -1.230 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.246 -13.267 0.476 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.450 -12.556 -1.136 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.589 -14.291 -0.765 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.858 -13.765 -2.300 1.00 0.00 H new ATOM 393 N GLU A 27 -1.636 -12.652 -2.477 1.00 0.00 N ATOM 394 CA GLU A 27 -2.500 -11.734 -3.207 1.00 0.00 C ATOM 395 C GLU A 27 -3.724 -11.376 -2.372 1.00 0.00 C ATOM 396 O GLU A 27 -4.060 -10.202 -2.213 1.00 0.00 O ATOM 397 CB GLU A 27 -2.918 -12.377 -4.535 1.00 0.00 C ATOM 398 CG GLU A 27 -3.879 -11.539 -5.363 1.00 0.00 C ATOM 399 CD GLU A 27 -5.293 -11.572 -4.825 1.00 0.00 C ATOM 400 OE1 GLU A 27 -5.894 -12.668 -4.796 1.00 0.00 O ATOM 401 OE2 GLU A 27 -5.801 -10.505 -4.427 1.00 0.00 O ATOM 0 H GLU A 27 -1.338 -13.464 -3.017 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.955 -10.813 -3.414 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.024 -12.574 -5.127 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.382 -13.341 -4.328 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.528 -10.508 -5.387 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.877 -11.901 -6.391 1.00 0.00 H new ATOM 408 N LYS A 28 -4.383 -12.398 -1.830 1.00 0.00 N ATOM 409 CA LYS A 28 -5.562 -12.186 -1.000 1.00 0.00 C ATOM 410 C LYS A 28 -5.195 -11.385 0.238 1.00 0.00 C ATOM 411 O LYS A 28 -5.900 -10.450 0.617 1.00 0.00 O ATOM 412 CB LYS A 28 -6.184 -13.524 -0.599 1.00 0.00 C ATOM 413 CG LYS A 28 -6.673 -14.340 -1.784 1.00 0.00 C ATOM 414 CD LYS A 28 -7.646 -13.555 -2.653 1.00 0.00 C ATOM 415 CE LYS A 28 -9.001 -13.380 -1.982 1.00 0.00 C ATOM 416 NZ LYS A 28 -8.935 -12.489 -0.792 1.00 0.00 N ATOM 0 H LYS A 28 -4.120 -13.376 -1.951 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.295 -11.624 -1.578 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.448 -14.107 -0.044 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.020 -13.340 0.076 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.820 -14.652 -2.386 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.159 -15.247 -1.424 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.223 -12.575 -2.876 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.777 -14.069 -3.605 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.709 -12.969 -2.701 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.383 -14.356 -1.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.805 -11.923 -0.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.839 -13.065 0.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.115 -11.855 -0.878 1.00 0.00 H new ATOM 430 N VAL A 29 -4.072 -11.741 0.854 1.00 0.00 N ATOM 431 CA VAL A 29 -3.599 -11.035 2.034 1.00 0.00 C ATOM 432 C VAL A 29 -3.461 -9.553 1.728 1.00 0.00 C ATOM 433 O VAL A 29 -3.808 -8.699 2.545 1.00 0.00 O ATOM 434 CB VAL A 29 -2.245 -11.589 2.521 1.00 0.00 C ATOM 435 CG1 VAL A 29 -1.711 -10.764 3.681 1.00 0.00 C ATOM 436 CG2 VAL A 29 -2.377 -13.053 2.918 1.00 0.00 C ATOM 0 H VAL A 29 -3.476 -12.513 0.555 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.332 -11.184 2.827 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.532 -11.520 1.699 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.755 -11.173 4.009 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.573 -9.731 3.360 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.421 -10.796 4.507 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.411 -13.426 3.259 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.107 -13.148 3.722 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.708 -13.635 2.058 1.00 0.00 H new ATOM 446 N VAL A 30 -2.977 -9.259 0.529 1.00 0.00 N ATOM 447 CA VAL A 30 -2.820 -7.885 0.095 1.00 0.00 C ATOM 448 C VAL A 30 -4.192 -7.235 -0.037 1.00 0.00 C ATOM 449 O VAL A 30 -4.429 -6.150 0.490 1.00 0.00 O ATOM 450 CB VAL A 30 -2.069 -7.804 -1.247 1.00 0.00 C ATOM 451 CG1 VAL A 30 -1.905 -6.358 -1.694 1.00 0.00 C ATOM 452 CG2 VAL A 30 -0.716 -8.491 -1.141 1.00 0.00 C ATOM 0 H VAL A 30 -2.688 -9.956 -0.157 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.230 -7.354 0.841 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.662 -8.323 -2.000 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.372 -6.329 -2.644 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.887 -5.901 -1.815 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.339 -5.807 -0.943 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.198 -8.425 -2.098 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.119 -8.002 -0.371 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.860 -9.539 -0.878 1.00 0.00 H new ATOM 462 N LYS A 31 -5.111 -7.915 -0.726 1.00 0.00 N ATOM 463 CA LYS A 31 -6.462 -7.395 -0.889 1.00 0.00 C ATOM 464 C LYS A 31 -7.064 -7.029 0.454 1.00 0.00 C ATOM 465 O LYS A 31 -7.678 -5.972 0.604 1.00 0.00 O ATOM 466 CB LYS A 31 -7.366 -8.400 -1.596 1.00 0.00 C ATOM 467 CG LYS A 31 -7.201 -8.410 -3.102 1.00 0.00 C ATOM 468 CD LYS A 31 -8.180 -9.369 -3.756 1.00 0.00 C ATOM 469 CE LYS A 31 -8.195 -9.205 -5.268 1.00 0.00 C ATOM 470 NZ LYS A 31 -9.142 -10.149 -5.921 1.00 0.00 N ATOM 0 H LYS A 31 -4.944 -8.816 -1.174 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.390 -6.500 -1.506 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.158 -9.398 -1.210 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.405 -8.175 -1.354 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.356 -7.405 -3.494 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -6.181 -8.698 -3.357 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.911 -10.394 -3.503 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.181 -9.195 -3.360 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.473 -8.181 -5.519 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.191 -9.369 -5.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.122 -10.004 -6.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.863 -11.127 -5.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.104 -9.976 -5.566 1.00 0.00 H new ATOM 484 N GLN A 32 -6.878 -7.900 1.437 1.00 0.00 N ATOM 485 CA GLN A 32 -7.403 -7.649 2.766 1.00 0.00 C ATOM 486 C GLN A 32 -6.722 -6.411 3.340 1.00 0.00 C ATOM 487 O GLN A 32 -7.347 -5.583 4.000 1.00 0.00 O ATOM 488 CB GLN A 32 -7.168 -8.855 3.675 1.00 0.00 C ATOM 489 CG GLN A 32 -8.097 -8.877 4.873 1.00 0.00 C ATOM 490 CD GLN A 32 -9.526 -9.178 4.467 1.00 0.00 C ATOM 491 OE1 GLN A 32 -9.881 -10.331 4.216 1.00 0.00 O ATOM 492 NE2 GLN A 32 -10.344 -8.139 4.356 1.00 0.00 N ATOM 0 H GLN A 32 -6.371 -8.779 1.337 1.00 0.00 H new ATOM 0 HA GLN A 32 -8.478 -7.481 2.704 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.303 -9.770 3.099 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.135 -8.847 4.022 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.755 -9.628 5.585 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -8.058 -7.914 5.382 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -10.009 -7.201 4.574 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -11.308 -8.279 4.053 1.00 0.00 H new ATOM 501 N PHE A 33 -5.427 -6.300 3.055 1.00 0.00 N ATOM 502 CA PHE A 33 -4.614 -5.175 3.501 1.00 0.00 C ATOM 503 C PHE A 33 -5.264 -3.854 3.079 1.00 0.00 C ATOM 504 O PHE A 33 -5.637 -3.031 3.915 1.00 0.00 O ATOM 505 CB PHE A 33 -3.208 -5.309 2.893 1.00 0.00 C ATOM 506 CG PHE A 33 -2.184 -4.371 3.462 1.00 0.00 C ATOM 507 CD1 PHE A 33 -1.703 -4.557 4.747 1.00 0.00 C ATOM 508 CD2 PHE A 33 -1.693 -3.307 2.711 1.00 0.00 C ATOM 509 CE1 PHE A 33 -0.756 -3.702 5.276 1.00 0.00 C ATOM 510 CE2 PHE A 33 -0.746 -2.452 3.240 1.00 0.00 C ATOM 511 CZ PHE A 33 -0.279 -2.650 4.523 1.00 0.00 C ATOM 0 H PHE A 33 -4.912 -6.990 2.507 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.539 -5.179 4.588 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.862 -6.333 3.036 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.275 -5.142 1.818 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.072 -5.379 5.342 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.056 -3.149 1.706 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.389 -3.857 6.280 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.371 -1.629 2.650 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.460 -1.981 4.938 1.00 0.00 H new ATOM 521 N PHE A 34 -5.405 -3.679 1.770 1.00 0.00 N ATOM 522 CA PHE A 34 -6.017 -2.476 1.204 1.00 0.00 C ATOM 523 C PHE A 34 -7.503 -2.420 1.523 1.00 0.00 C ATOM 524 O PHE A 34 -8.041 -1.360 1.837 1.00 0.00 O ATOM 525 CB PHE A 34 -5.764 -2.426 -0.297 1.00 0.00 C ATOM 526 CG PHE A 34 -4.299 -2.425 -0.597 1.00 0.00 C ATOM 527 CD1 PHE A 34 -3.458 -1.544 0.062 1.00 0.00 C ATOM 528 CD2 PHE A 34 -3.757 -3.317 -1.501 1.00 0.00 C ATOM 529 CE1 PHE A 34 -2.102 -1.553 -0.176 1.00 0.00 C ATOM 530 CE2 PHE A 34 -2.400 -3.327 -1.750 1.00 0.00 C ATOM 531 CZ PHE A 34 -1.573 -2.445 -1.082 1.00 0.00 C ATOM 0 H PHE A 34 -5.102 -4.360 1.073 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.558 -1.598 1.658 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.236 -3.283 -0.777 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.225 -1.532 -0.717 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.871 -0.842 0.771 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -4.401 -4.013 -2.018 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.456 -0.863 0.346 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.986 -4.022 -2.465 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.510 -2.455 -1.271 1.00 0.00 H new ATOM 541 N ASN A 35 -8.156 -3.571 1.464 1.00 0.00 N ATOM 542 CA ASN A 35 -9.577 -3.658 1.774 1.00 0.00 C ATOM 543 C ASN A 35 -9.862 -2.994 3.117 1.00 0.00 C ATOM 544 O ASN A 35 -10.881 -2.326 3.299 1.00 0.00 O ATOM 545 CB ASN A 35 -9.997 -5.127 1.832 1.00 0.00 C ATOM 546 CG ASN A 35 -11.457 -5.305 2.186 1.00 0.00 C ATOM 547 OD1 ASN A 35 -11.945 -4.755 3.172 1.00 0.00 O ATOM 548 ND2 ASN A 35 -12.153 -6.098 1.390 1.00 0.00 N ATOM 0 H ASN A 35 -7.725 -4.458 1.204 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.143 -3.145 0.996 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.802 -5.594 0.867 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.383 -5.647 2.568 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.139 -6.276 1.582 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.704 -6.532 0.583 1.00 0.00 H new ATOM 555 N ASP A 36 -8.942 -3.198 4.050 1.00 0.00 N ATOM 556 CA ASP A 36 -9.062 -2.640 5.393 1.00 0.00 C ATOM 557 C ASP A 36 -8.330 -1.304 5.538 1.00 0.00 C ATOM 558 O ASP A 36 -8.677 -0.502 6.405 1.00 0.00 O ATOM 559 CB ASP A 36 -8.539 -3.637 6.425 1.00 0.00 C ATOM 560 CG ASP A 36 -9.342 -4.922 6.443 1.00 0.00 C ATOM 561 OD1 ASP A 36 -10.564 -4.855 6.691 1.00 0.00 O ATOM 562 OD2 ASP A 36 -8.749 -5.996 6.208 1.00 0.00 O ATOM 0 H ASP A 36 -8.097 -3.750 3.901 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.121 -2.450 5.569 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.496 -3.866 6.209 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.567 -3.180 7.414 1.00 0.00 H new ATOM 567 N ASN A 37 -7.333 -1.052 4.690 1.00 0.00 N ATOM 568 CA ASN A 37 -6.600 0.213 4.758 1.00 0.00 C ATOM 569 C ASN A 37 -7.402 1.311 4.075 1.00 0.00 C ATOM 570 O ASN A 37 -7.554 2.407 4.611 1.00 0.00 O ATOM 571 CB ASN A 37 -5.222 0.103 4.095 1.00 0.00 C ATOM 572 CG ASN A 37 -4.289 -0.851 4.813 1.00 0.00 C ATOM 573 OD1 ASN A 37 -4.218 -0.861 6.042 1.00 0.00 O ATOM 574 ND2 ASN A 37 -3.536 -1.636 4.047 1.00 0.00 N ATOM 0 H ASN A 37 -7.018 -1.693 3.961 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.454 0.456 5.810 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.347 -0.228 3.064 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.763 1.091 4.059 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.868 -2.278 4.475 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.626 -1.596 3.032 1.00 0.00 H new ATOM 581 N GLY A 38 -7.910 0.980 2.888 1.00 0.00 N ATOM 582 CA GLY A 38 -8.711 1.892 2.082 1.00 0.00 C ATOM 583 C GLY A 38 -9.059 3.215 2.744 1.00 0.00 C ATOM 584 O GLY A 38 -8.188 4.049 2.987 1.00 0.00 O ATOM 0 H GLY A 38 -7.775 0.065 2.459 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.174 2.099 1.156 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.638 1.388 1.807 1.00 0.00 H new ATOM 588 N VAL A 39 -10.355 3.433 2.960 1.00 0.00 N ATOM 589 CA VAL A 39 -10.837 4.695 3.514 1.00 0.00 C ATOM 590 C VAL A 39 -11.362 4.591 4.946 1.00 0.00 C ATOM 591 O VAL A 39 -11.858 5.581 5.487 1.00 0.00 O ATOM 592 CB VAL A 39 -11.977 5.241 2.646 1.00 0.00 C ATOM 593 CG1 VAL A 39 -12.374 6.645 3.079 1.00 0.00 C ATOM 594 CG2 VAL A 39 -11.594 5.212 1.173 1.00 0.00 C ATOM 0 H VAL A 39 -11.088 2.753 2.760 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.970 5.355 3.524 1.00 0.00 H new ATOM 0 HB VAL A 39 -12.844 4.595 2.784 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -13.184 7.006 2.445 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -12.706 6.625 4.117 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -11.516 7.311 2.985 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -12.417 5.604 0.575 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -10.707 5.826 1.016 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -11.383 4.186 0.872 1.00 0.00 H new ATOM 604 N ASP A 40 -11.269 3.429 5.572 1.00 0.00 N ATOM 605 CA ASP A 40 -11.759 3.283 6.943 1.00 0.00 C ATOM 606 C ASP A 40 -10.683 2.731 7.879 1.00 0.00 C ATOM 607 O ASP A 40 -10.985 2.318 9.000 1.00 0.00 O ATOM 608 CB ASP A 40 -12.985 2.367 6.966 1.00 0.00 C ATOM 609 CG ASP A 40 -14.129 2.916 6.139 1.00 0.00 C ATOM 610 OD1 ASP A 40 -13.939 3.115 4.920 1.00 0.00 O ATOM 611 OD2 ASP A 40 -15.215 3.151 6.709 1.00 0.00 O ATOM 0 H ASP A 40 -10.867 2.584 5.166 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.033 4.275 7.301 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.707 1.383 6.589 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.316 2.233 7.996 1.00 0.00 H new ATOM 616 N GLY A 41 -9.435 2.711 7.421 1.00 0.00 N ATOM 617 CA GLY A 41 -8.353 2.189 8.243 1.00 0.00 C ATOM 618 C GLY A 41 -7.867 3.173 9.294 1.00 0.00 C ATOM 619 O GLY A 41 -8.224 4.350 9.269 1.00 0.00 O ATOM 0 H GLY A 41 -9.152 3.045 6.500 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.689 1.277 8.737 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.518 1.914 7.599 1.00 0.00 H new ATOM 623 N GLU A 42 -7.034 2.680 10.213 1.00 0.00 N ATOM 624 CA GLU A 42 -6.474 3.510 11.277 1.00 0.00 C ATOM 625 C GLU A 42 -5.118 4.064 10.854 1.00 0.00 C ATOM 626 O GLU A 42 -4.105 3.361 10.901 1.00 0.00 O ATOM 627 CB GLU A 42 -6.329 2.698 12.568 1.00 0.00 C ATOM 628 CG GLU A 42 -7.643 2.134 13.086 1.00 0.00 C ATOM 629 CD GLU A 42 -7.474 1.342 14.367 1.00 0.00 C ATOM 630 OE1 GLU A 42 -6.327 1.231 14.852 1.00 0.00 O ATOM 631 OE2 GLU A 42 -8.487 0.829 14.888 1.00 0.00 O ATOM 0 H GLU A 42 -6.733 1.706 10.240 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.154 4.342 11.462 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.635 1.876 12.394 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.887 3.331 13.337 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.342 2.952 13.259 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.085 1.493 12.323 1.00 0.00 H new ATOM 638 N TRP A 43 -5.109 5.316 10.407 1.00 0.00 N ATOM 639 CA TRP A 43 -3.885 5.951 9.933 1.00 0.00 C ATOM 640 C TRP A 43 -3.247 6.863 10.976 1.00 0.00 C ATOM 641 O TRP A 43 -3.854 7.837 11.421 1.00 0.00 O ATOM 642 CB TRP A 43 -4.181 6.780 8.687 1.00 0.00 C ATOM 643 CG TRP A 43 -4.685 5.986 7.524 1.00 0.00 C ATOM 644 CD1 TRP A 43 -5.405 4.826 7.555 1.00 0.00 C ATOM 645 CD2 TRP A 43 -4.503 6.309 6.146 1.00 0.00 C ATOM 646 NE1 TRP A 43 -5.680 4.410 6.274 1.00 0.00 N ATOM 647 CE2 TRP A 43 -5.134 5.305 5.394 1.00 0.00 C ATOM 648 CE3 TRP A 43 -3.864 7.355 5.478 1.00 0.00 C ATOM 649 CZ2 TRP A 43 -5.146 5.316 4.003 1.00 0.00 C ATOM 650 CZ3 TRP A 43 -3.876 7.366 4.098 1.00 0.00 C ATOM 651 CH2 TRP A 43 -4.514 6.352 3.373 1.00 0.00 C ATOM 0 H TRP A 43 -5.936 5.911 10.363 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.183 5.146 9.714 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.919 7.542 8.939 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -3.272 7.303 8.388 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -5.713 4.311 8.453 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.204 3.573 6.021 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.370 8.140 6.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.637 4.535 3.441 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -3.385 8.170 3.569 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -4.507 6.389 2.294 1.00 0.00 H new ATOM 662 N THR A 44 -2.001 6.560 11.329 1.00 0.00 N ATOM 663 CA THR A 44 -1.253 7.370 12.282 1.00 0.00 C ATOM 664 C THR A 44 -0.132 8.105 11.546 1.00 0.00 C ATOM 665 O THR A 44 0.524 7.530 10.678 1.00 0.00 O ATOM 666 CB THR A 44 -0.676 6.496 13.398 1.00 0.00 C ATOM 667 OG1 THR A 44 0.150 5.477 12.862 1.00 0.00 O ATOM 668 CG2 THR A 44 -1.738 5.826 14.243 1.00 0.00 C ATOM 0 H THR A 44 -1.488 5.756 10.967 1.00 0.00 H new ATOM 0 HA THR A 44 -1.924 8.097 12.739 1.00 0.00 H new ATOM 0 HB THR A 44 -0.105 7.176 14.030 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.624 5.820 12.076 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.261 5.222 15.015 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.363 6.586 14.712 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.355 5.187 13.612 1.00 0.00 H new ATOM 676 N TYR A 45 0.072 9.378 11.873 1.00 0.00 N ATOM 677 CA TYR A 45 1.102 10.173 11.210 1.00 0.00 C ATOM 678 C TYR A 45 2.236 10.540 12.166 1.00 0.00 C ATOM 679 O TYR A 45 2.007 10.797 13.348 1.00 0.00 O ATOM 680 CB TYR A 45 0.479 11.442 10.621 1.00 0.00 C ATOM 681 CG TYR A 45 1.427 12.261 9.770 1.00 0.00 C ATOM 682 CD1 TYR A 45 2.397 11.652 8.985 1.00 0.00 C ATOM 683 CD2 TYR A 45 1.343 13.647 9.749 1.00 0.00 C ATOM 684 CE1 TYR A 45 3.258 12.401 8.204 1.00 0.00 C ATOM 685 CE2 TYR A 45 2.199 14.404 8.972 1.00 0.00 C ATOM 686 CZ TYR A 45 3.155 13.776 8.201 1.00 0.00 C ATOM 687 OH TYR A 45 4.009 14.525 7.423 1.00 0.00 O ATOM 0 H TYR A 45 -0.457 9.878 12.587 1.00 0.00 H new ATOM 0 HA TYR A 45 1.528 9.569 10.409 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.385 11.163 10.017 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.110 12.064 11.436 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.480 10.575 8.984 1.00 0.00 H new ATOM 0 HD2 TYR A 45 0.595 14.142 10.351 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.007 11.912 7.600 1.00 0.00 H new ATOM 0 HE2 TYR A 45 2.120 15.481 8.968 1.00 0.00 H new ATOM 0 HH TYR A 45 3.658 14.577 6.509 1.00 0.00 H new ATOM 697 N ASP A 46 3.458 10.569 11.638 1.00 0.00 N ATOM 698 CA ASP A 46 4.633 10.913 12.431 1.00 0.00 C ATOM 699 C ASP A 46 5.377 12.094 11.808 1.00 0.00 C ATOM 700 O ASP A 46 6.342 11.908 11.067 1.00 0.00 O ATOM 701 CB ASP A 46 5.569 9.709 12.547 1.00 0.00 C ATOM 702 CG ASP A 46 6.794 10.004 13.392 1.00 0.00 C ATOM 703 OD1 ASP A 46 7.559 10.922 13.027 1.00 0.00 O ATOM 704 OD2 ASP A 46 6.988 9.318 14.417 1.00 0.00 O ATOM 0 H ASP A 46 3.659 10.357 10.661 1.00 0.00 H new ATOM 0 HA ASP A 46 4.299 11.198 13.429 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.025 8.871 12.982 1.00 0.00 H new ATOM 0 HB3 ASP A 46 5.885 9.401 11.550 1.00 0.00 H new ATOM 709 N ASP A 47 4.916 13.305 12.106 1.00 0.00 N ATOM 710 CA ASP A 47 5.531 14.519 11.568 1.00 0.00 C ATOM 711 C ASP A 47 7.053 14.484 11.700 1.00 0.00 C ATOM 712 O ASP A 47 7.773 15.000 10.844 1.00 0.00 O ATOM 713 CB ASP A 47 4.984 15.754 12.289 1.00 0.00 C ATOM 714 CG ASP A 47 3.475 15.868 12.191 1.00 0.00 C ATOM 715 OD1 ASP A 47 2.852 14.983 11.570 1.00 0.00 O ATOM 716 OD2 ASP A 47 2.916 16.843 12.736 1.00 0.00 O ATOM 0 H ASP A 47 4.118 13.474 12.718 1.00 0.00 H new ATOM 0 HA ASP A 47 5.281 14.572 10.508 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.274 15.715 13.339 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.440 16.649 11.865 1.00 0.00 H new ATOM 721 N ALA A 48 7.536 13.888 12.785 1.00 0.00 N ATOM 722 CA ALA A 48 8.969 13.802 13.044 1.00 0.00 C ATOM 723 C ALA A 48 9.742 13.275 11.837 1.00 0.00 C ATOM 724 O ALA A 48 10.895 13.649 11.621 1.00 0.00 O ATOM 725 CB ALA A 48 9.229 12.926 14.258 1.00 0.00 C ATOM 0 H ALA A 48 6.953 13.456 13.502 1.00 0.00 H new ATOM 0 HA ALA A 48 9.326 14.813 13.242 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.302 12.869 14.442 1.00 0.00 H new ATOM 0 HB2 ALA A 48 8.734 13.355 15.129 1.00 0.00 H new ATOM 0 HB3 ALA A 48 8.838 11.925 14.075 1.00 0.00 H new ATOM 731 N THR A 49 9.114 12.404 11.054 1.00 0.00 N ATOM 732 CA THR A 49 9.770 11.838 9.879 1.00 0.00 C ATOM 733 C THR A 49 8.915 11.992 8.621 1.00 0.00 C ATOM 734 O THR A 49 9.178 11.346 7.606 1.00 0.00 O ATOM 735 CB THR A 49 10.087 10.360 10.115 1.00 0.00 C ATOM 736 OG1 THR A 49 8.901 9.623 10.358 1.00 0.00 O ATOM 737 CG2 THR A 49 11.019 10.128 11.286 1.00 0.00 C ATOM 0 H THR A 49 8.160 12.077 11.209 1.00 0.00 H new ATOM 0 HA THR A 49 10.696 12.390 9.721 1.00 0.00 H new ATOM 0 HB THR A 49 10.581 10.022 9.204 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.481 9.943 11.184 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.203 9.060 11.399 1.00 0.00 H new ATOM 0 HG22 THR A 49 11.963 10.642 11.107 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.562 10.515 12.197 1.00 0.00 H new ATOM 745 N LYS A 50 7.892 12.842 8.688 1.00 0.00 N ATOM 746 CA LYS A 50 7.010 13.061 7.542 1.00 0.00 C ATOM 747 C LYS A 50 6.553 11.729 6.953 1.00 0.00 C ATOM 748 O LYS A 50 6.429 11.584 5.733 1.00 0.00 O ATOM 749 CB LYS A 50 7.729 13.878 6.468 1.00 0.00 C ATOM 750 CG LYS A 50 8.016 15.314 6.874 1.00 0.00 C ATOM 751 CD LYS A 50 6.734 16.117 7.017 1.00 0.00 C ATOM 752 CE LYS A 50 7.024 17.577 7.318 1.00 0.00 C ATOM 753 NZ LYS A 50 7.804 17.741 8.575 1.00 0.00 N ATOM 0 H LYS A 50 7.654 13.387 9.517 1.00 0.00 H new ATOM 0 HA LYS A 50 6.135 13.613 7.886 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.670 13.386 6.221 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.123 13.881 5.562 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.561 15.325 7.818 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.659 15.783 6.129 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.152 16.042 6.098 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.125 15.693 7.816 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.577 18.016 6.488 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.085 18.124 7.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.836 18.747 8.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.350 17.200 9.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.772 17.390 8.431 1.00 0.00 H new ATOM 767 N THR A 51 6.330 10.751 7.824 1.00 0.00 N ATOM 768 CA THR A 51 5.915 9.426 7.387 1.00 0.00 C ATOM 769 C THR A 51 4.609 9.002 8.056 1.00 0.00 C ATOM 770 O THR A 51 4.394 9.253 9.242 1.00 0.00 O ATOM 771 CB THR A 51 7.015 8.411 7.699 1.00 0.00 C ATOM 772 OG1 THR A 51 8.215 8.756 7.030 1.00 0.00 O ATOM 773 CG2 THR A 51 6.662 6.996 7.302 1.00 0.00 C ATOM 0 H THR A 51 6.430 10.852 8.834 1.00 0.00 H new ATOM 0 HA THR A 51 5.744 9.462 6.311 1.00 0.00 H new ATOM 0 HB THR A 51 7.137 8.444 8.782 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.523 9.633 7.341 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.488 6.331 7.553 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.767 6.680 7.838 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.476 6.955 6.229 1.00 0.00 H new ATOM 781 N PHE A 52 3.748 8.350 7.282 1.00 0.00 N ATOM 782 CA PHE A 52 2.465 7.877 7.787 1.00 0.00 C ATOM 783 C PHE A 52 2.471 6.356 7.924 1.00 0.00 C ATOM 784 O PHE A 52 3.025 5.655 7.083 1.00 0.00 O ATOM 785 CB PHE A 52 1.333 8.297 6.847 1.00 0.00 C ATOM 786 CG PHE A 52 1.265 9.778 6.592 1.00 0.00 C ATOM 787 CD1 PHE A 52 2.183 10.391 5.754 1.00 0.00 C ATOM 788 CD2 PHE A 52 0.278 10.551 7.180 1.00 0.00 C ATOM 789 CE1 PHE A 52 2.118 11.751 5.510 1.00 0.00 C ATOM 790 CE2 PHE A 52 0.208 11.911 6.939 1.00 0.00 C ATOM 791 CZ PHE A 52 1.129 12.511 6.103 1.00 0.00 C ATOM 0 H PHE A 52 3.917 8.137 6.299 1.00 0.00 H new ATOM 0 HA PHE A 52 2.303 8.324 8.768 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.455 7.780 5.895 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.383 7.968 7.269 1.00 0.00 H new ATOM 0 HD1 PHE A 52 2.957 9.801 5.287 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.445 10.087 7.834 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.840 12.218 4.856 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.566 12.503 7.404 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.076 13.573 5.913 1.00 0.00 H new ATOM 801 N THR A 53 1.838 5.850 8.976 1.00 0.00 N ATOM 802 CA THR A 53 1.766 4.411 9.199 1.00 0.00 C ATOM 803 C THR A 53 0.326 3.915 9.158 1.00 0.00 C ATOM 804 O THR A 53 -0.525 4.367 9.924 1.00 0.00 O ATOM 805 CB THR A 53 2.419 4.023 10.526 1.00 0.00 C ATOM 806 OG1 THR A 53 2.120 4.968 11.536 1.00 0.00 O ATOM 807 CG2 THR A 53 3.922 3.880 10.437 1.00 0.00 C ATOM 0 H THR A 53 1.369 6.413 9.686 1.00 0.00 H new ATOM 0 HA THR A 53 2.317 3.932 8.390 1.00 0.00 H new ATOM 0 HB THR A 53 2.000 3.048 10.777 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.544 4.553 12.212 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.320 3.604 11.414 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.172 3.106 9.711 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.360 4.827 10.122 1.00 0.00 H new ATOM 815 N VAL A 54 0.074 2.964 8.268 1.00 0.00 N ATOM 816 CA VAL A 54 -1.247 2.373 8.127 1.00 0.00 C ATOM 817 C VAL A 54 -1.293 1.042 8.865 1.00 0.00 C ATOM 818 O VAL A 54 -0.889 0.010 8.329 1.00 0.00 O ATOM 819 CB VAL A 54 -1.614 2.152 6.645 1.00 0.00 C ATOM 820 CG1 VAL A 54 -3.014 1.572 6.517 1.00 0.00 C ATOM 821 CG2 VAL A 54 -1.498 3.456 5.869 1.00 0.00 C ATOM 0 H VAL A 54 0.773 2.585 7.630 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.972 3.065 8.556 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.911 1.435 6.220 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.252 1.424 5.464 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.060 0.615 7.037 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.735 2.260 6.959 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.760 3.283 4.825 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.176 4.195 6.296 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.474 3.825 5.929 1.00 0.00 H new ATOM 831 N THR A 55 -1.761 1.074 10.108 1.00 0.00 N ATOM 832 CA THR A 55 -1.824 -0.132 10.918 1.00 0.00 C ATOM 833 C THR A 55 -3.110 -0.909 10.667 1.00 0.00 C ATOM 834 O THR A 55 -4.194 -0.492 11.074 1.00 0.00 O ATOM 835 CB THR A 55 -1.698 0.206 12.402 1.00 0.00 C ATOM 836 OG1 THR A 55 -0.629 1.111 12.619 1.00 0.00 O ATOM 837 CG2 THR A 55 -1.437 -1.012 13.258 1.00 0.00 C ATOM 0 H THR A 55 -2.100 1.917 10.572 1.00 0.00 H new ATOM 0 HA THR A 55 -0.985 -0.763 10.626 1.00 0.00 H new ATOM 0 HB THR A 55 -2.654 0.646 12.687 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.564 1.318 13.575 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.357 -0.712 14.303 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.259 -1.719 13.146 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.507 -1.485 12.944 1.00 0.00 H new ATOM 845 N GLU A 56 -2.975 -2.048 9.992 1.00 0.00 N ATOM 846 CA GLU A 56 -4.117 -2.900 9.679 1.00 0.00 C ATOM 847 C GLU A 56 -4.962 -3.171 10.922 1.00 0.00 C ATOM 848 O GLU A 56 -4.388 -3.609 11.942 1.00 0.00 O ATOM 849 CB GLU A 56 -3.632 -4.224 9.080 1.00 0.00 C ATOM 850 CG GLU A 56 -4.750 -5.206 8.770 1.00 0.00 C ATOM 851 CD GLU A 56 -5.741 -4.660 7.766 1.00 0.00 C ATOM 852 OE1 GLU A 56 -6.355 -3.609 8.050 1.00 0.00 O ATOM 853 OE2 GLU A 56 -5.906 -5.283 6.697 1.00 0.00 O ATOM 854 OXT GLU A 56 -6.188 -2.942 10.865 1.00 0.00 O ATOM 0 H GLU A 56 -2.082 -2.402 9.650 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.740 -2.378 8.952 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.080 -4.016 8.164 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.933 -4.691 9.774 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.320 -6.131 8.385 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.274 -5.458 9.692 1.00 0.00 H new TER 861 GLU A 56 ATOM 862 N MET B 1 6.356 18.810 -1.758 1.00 0.00 N ATOM 863 CA MET B 1 7.388 17.952 -1.122 1.00 0.00 C ATOM 864 C MET B 1 7.023 16.476 -1.246 1.00 0.00 C ATOM 865 O MET B 1 5.893 16.134 -1.597 1.00 0.00 O ATOM 866 CB MET B 1 7.513 18.353 0.352 1.00 0.00 C ATOM 867 CG MET B 1 8.589 17.588 1.108 1.00 0.00 C ATOM 868 SD MET B 1 8.837 18.207 2.784 1.00 0.00 S ATOM 869 CE MET B 1 7.197 17.994 3.468 1.00 0.00 C ATOM 0 H1 MET B 1 6.374 19.755 -1.324 1.00 0.00 H new ATOM 0 H2 MET B 1 6.553 18.893 -2.776 1.00 0.00 H new ATOM 0 H3 MET B 1 5.417 18.384 -1.620 1.00 0.00 H new ATOM 0 HA MET B 1 8.343 18.096 -1.628 1.00 0.00 H new ATOM 0 HB2 MET B 1 7.729 19.420 0.411 1.00 0.00 H new ATOM 0 HB3 MET B 1 6.554 18.194 0.845 1.00 0.00 H new ATOM 0 HG2 MET B 1 8.317 16.533 1.151 1.00 0.00 H new ATOM 0 HG3 MET B 1 9.528 17.652 0.559 1.00 0.00 H new ATOM 0 HE1 MET B 1 7.134 18.507 4.428 1.00 0.00 H new ATOM 0 HE2 MET B 1 6.460 18.413 2.783 1.00 0.00 H new ATOM 0 HE3 MET B 1 6.997 16.932 3.610 1.00 0.00 H new ATOM 881 N GLN B 2 7.978 15.605 -0.945 1.00 0.00 N ATOM 882 CA GLN B 2 7.753 14.167 -1.011 1.00 0.00 C ATOM 883 C GLN B 2 7.531 13.600 0.385 1.00 0.00 C ATOM 884 O GLN B 2 8.185 14.008 1.343 1.00 0.00 O ATOM 885 CB GLN B 2 8.943 13.469 -1.678 1.00 0.00 C ATOM 886 CG GLN B 2 8.784 11.962 -1.779 1.00 0.00 C ATOM 887 CD GLN B 2 9.979 11.292 -2.431 1.00 0.00 C ATOM 888 OE1 GLN B 2 11.103 11.389 -1.939 1.00 0.00 O ATOM 889 NE2 GLN B 2 9.739 10.608 -3.543 1.00 0.00 N ATOM 0 H GLN B 2 8.918 15.871 -0.652 1.00 0.00 H new ATOM 0 HA GLN B 2 6.860 13.986 -1.610 1.00 0.00 H new ATOM 0 HB2 GLN B 2 9.080 13.880 -2.678 1.00 0.00 H new ATOM 0 HB3 GLN B 2 9.848 13.694 -1.114 1.00 0.00 H new ATOM 0 HG2 GLN B 2 8.640 11.548 -0.781 1.00 0.00 H new ATOM 0 HG3 GLN B 2 7.886 11.733 -2.352 1.00 0.00 H new ATOM 0 HE21 GLN B 2 8.791 10.555 -3.914 1.00 0.00 H new ATOM 0 HE22 GLN B 2 10.503 10.135 -4.026 1.00 0.00 H new ATOM 898 N TYR B 3 6.606 12.653 0.494 1.00 0.00 N ATOM 899 CA TYR B 3 6.304 12.030 1.774 1.00 0.00 C ATOM 900 C TYR B 3 6.425 10.518 1.673 1.00 0.00 C ATOM 901 O TYR B 3 6.138 9.932 0.630 1.00 0.00 O ATOM 902 CB TYR B 3 4.903 12.425 2.239 1.00 0.00 C ATOM 903 CG TYR B 3 4.758 13.907 2.505 1.00 0.00 C ATOM 904 CD1 TYR B 3 4.907 14.834 1.480 1.00 0.00 C ATOM 905 CD2 TYR B 3 4.483 14.379 3.782 1.00 0.00 C ATOM 906 CE1 TYR B 3 4.782 16.189 1.721 1.00 0.00 C ATOM 907 CE2 TYR B 3 4.358 15.732 4.031 1.00 0.00 C ATOM 908 CZ TYR B 3 4.508 16.632 2.998 1.00 0.00 C ATOM 909 OH TYR B 3 4.384 17.981 3.241 1.00 0.00 O ATOM 0 H TYR B 3 6.054 12.301 -0.288 1.00 0.00 H new ATOM 0 HA TYR B 3 7.026 12.383 2.510 1.00 0.00 H new ATOM 0 HB2 TYR B 3 4.178 12.126 1.482 1.00 0.00 H new ATOM 0 HB3 TYR B 3 4.660 11.874 3.148 1.00 0.00 H new ATOM 0 HD1 TYR B 3 5.124 14.490 0.480 1.00 0.00 H new ATOM 0 HD2 TYR B 3 4.365 13.677 4.594 1.00 0.00 H new ATOM 0 HE1 TYR B 3 4.898 16.897 0.914 1.00 0.00 H new ATOM 0 HE2 TYR B 3 4.144 16.083 5.030 1.00 0.00 H new ATOM 0 HH TYR B 3 4.190 18.126 4.191 1.00 0.00 H new ATOM 919 N LYS B 4 6.863 9.890 2.757 1.00 0.00 N ATOM 920 CA LYS B 4 7.034 8.444 2.774 1.00 0.00 C ATOM 921 C LYS B 4 5.938 7.791 3.611 1.00 0.00 C ATOM 922 O LYS B 4 5.930 7.902 4.835 1.00 0.00 O ATOM 923 CB LYS B 4 8.416 8.089 3.326 1.00 0.00 C ATOM 924 CG LYS B 4 8.889 6.694 2.950 1.00 0.00 C ATOM 925 CD LYS B 4 10.300 6.435 3.452 1.00 0.00 C ATOM 926 CE LYS B 4 10.918 5.216 2.786 1.00 0.00 C ATOM 927 NZ LYS B 4 10.083 4.000 2.968 1.00 0.00 N ATOM 0 H LYS B 4 7.105 10.357 3.631 1.00 0.00 H new ATOM 0 HA LYS B 4 6.957 8.066 1.755 1.00 0.00 H new ATOM 0 HB2 LYS B 4 9.140 8.818 2.962 1.00 0.00 H new ATOM 0 HB3 LYS B 4 8.396 8.175 4.412 1.00 0.00 H new ATOM 0 HG2 LYS B 4 8.210 5.952 3.370 1.00 0.00 H new ATOM 0 HG3 LYS B 4 8.859 6.577 1.867 1.00 0.00 H new ATOM 0 HD2 LYS B 4 10.921 7.310 3.259 1.00 0.00 H new ATOM 0 HD3 LYS B 4 10.281 6.289 4.532 1.00 0.00 H new ATOM 0 HE2 LYS B 4 11.048 5.411 1.721 1.00 0.00 H new ATOM 0 HE3 LYS B 4 11.910 5.040 3.201 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 10.587 3.173 2.588 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 9.895 3.856 3.981 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 9.182 4.119 2.462 1.00 0.00 H new ATOM 941 N VAL B 5 5.010 7.117 2.939 1.00 0.00 N ATOM 942 CA VAL B 5 3.908 6.458 3.623 1.00 0.00 C ATOM 943 C VAL B 5 4.224 4.991 3.895 1.00 0.00 C ATOM 944 O VAL B 5 4.409 4.195 2.975 1.00 0.00 O ATOM 945 CB VAL B 5 2.599 6.567 2.812 1.00 0.00 C ATOM 946 CG1 VAL B 5 1.448 5.886 3.543 1.00 0.00 C ATOM 947 CG2 VAL B 5 2.270 8.025 2.524 1.00 0.00 C ATOM 0 H VAL B 5 5.001 7.014 1.924 1.00 0.00 H new ATOM 0 HA VAL B 5 3.772 6.969 4.576 1.00 0.00 H new ATOM 0 HB VAL B 5 2.743 6.054 1.861 1.00 0.00 H new ATOM 0 HG11 VAL B 5 0.537 5.976 2.951 1.00 0.00 H new ATOM 0 HG12 VAL B 5 1.683 4.832 3.689 1.00 0.00 H new ATOM 0 HG13 VAL B 5 1.300 6.362 4.512 1.00 0.00 H new ATOM 0 HG21 VAL B 5 1.344 8.083 1.952 1.00 0.00 H new ATOM 0 HG22 VAL B 5 2.150 8.563 3.464 1.00 0.00 H new ATOM 0 HG23 VAL B 5 3.080 8.474 1.950 1.00 0.00 H new ATOM 957 N ILE B 6 4.282 4.654 5.172 1.00 0.00 N ATOM 958 CA ILE B 6 4.574 3.296 5.608 1.00 0.00 C ATOM 959 C ILE B 6 3.283 2.523 5.873 1.00 0.00 C ATOM 960 O ILE B 6 2.372 3.018 6.532 1.00 0.00 O ATOM 961 CB ILE B 6 5.456 3.314 6.876 1.00 0.00 C ATOM 962 CG1 ILE B 6 6.820 3.923 6.550 1.00 0.00 C ATOM 963 CG2 ILE B 6 5.628 1.918 7.458 1.00 0.00 C ATOM 964 CD1 ILE B 6 7.710 4.100 7.760 1.00 0.00 C ATOM 0 H ILE B 6 4.128 5.312 5.936 1.00 0.00 H new ATOM 0 HA ILE B 6 5.119 2.792 4.810 1.00 0.00 H new ATOM 0 HB ILE B 6 4.956 3.925 7.627 1.00 0.00 H new ATOM 0 HG12 ILE B 6 7.329 3.287 5.826 1.00 0.00 H new ATOM 0 HG13 ILE B 6 6.671 4.892 6.074 1.00 0.00 H new ATOM 0 HG21 ILE B 6 6.254 1.970 8.349 1.00 0.00 H new ATOM 0 HG22 ILE B 6 4.652 1.512 7.724 1.00 0.00 H new ATOM 0 HG23 ILE B 6 6.101 1.271 6.719 1.00 0.00 H new ATOM 0 HD11 ILE B 6 8.660 4.537 7.452 1.00 0.00 H new ATOM 0 HD12 ILE B 6 7.222 4.761 8.477 1.00 0.00 H new ATOM 0 HD13 ILE B 6 7.890 3.130 8.224 1.00 0.00 H new ATOM 976 N LEU B 7 3.204 1.311 5.330 1.00 0.00 N ATOM 977 CA LEU B 7 2.019 0.475 5.487 1.00 0.00 C ATOM 978 C LEU B 7 2.332 -0.753 6.346 1.00 0.00 C ATOM 979 O LEU B 7 3.001 -1.682 5.893 1.00 0.00 O ATOM 980 CB LEU B 7 1.515 0.047 4.104 1.00 0.00 C ATOM 981 CG LEU B 7 1.579 1.135 3.034 1.00 0.00 C ATOM 982 CD1 LEU B 7 1.066 0.606 1.707 1.00 0.00 C ATOM 983 CD2 LEU B 7 0.789 2.357 3.479 1.00 0.00 C ATOM 0 H LEU B 7 3.948 0.886 4.777 1.00 0.00 H new ATOM 0 HA LEU B 7 1.243 1.048 5.993 1.00 0.00 H new ATOM 0 HB2 LEU B 7 2.101 -0.808 3.768 1.00 0.00 H new ATOM 0 HB3 LEU B 7 0.483 -0.291 4.197 1.00 0.00 H new ATOM 0 HG LEU B 7 2.618 1.433 2.897 1.00 0.00 H new ATOM 0 HD11 LEU B 7 1.119 1.394 0.956 1.00 0.00 H new ATOM 0 HD12 LEU B 7 1.679 -0.238 1.390 1.00 0.00 H new ATOM 0 HD13 LEU B 7 0.032 0.281 1.820 1.00 0.00 H new ATOM 0 HD21 LEU B 7 0.842 3.125 2.708 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -0.252 2.078 3.642 1.00 0.00 H new ATOM 0 HD23 LEU B 7 1.210 2.744 4.407 1.00 0.00 H new ATOM 995 N ASN B 8 1.858 -0.745 7.593 1.00 0.00 N ATOM 996 CA ASN B 8 2.106 -1.855 8.516 1.00 0.00 C ATOM 997 C ASN B 8 0.833 -2.639 8.818 1.00 0.00 C ATOM 998 O ASN B 8 -0.059 -2.147 9.504 1.00 0.00 O ATOM 999 CB ASN B 8 2.696 -1.333 9.827 1.00 0.00 C ATOM 1000 CG ASN B 8 3.967 -0.542 9.615 1.00 0.00 C ATOM 1001 OD1 ASN B 8 3.958 0.495 8.956 1.00 0.00 O ATOM 1002 ND2 ASN B 8 5.070 -1.027 10.175 1.00 0.00 N ATOM 0 H ASN B 8 1.302 0.014 7.986 1.00 0.00 H new ATOM 0 HA ASN B 8 2.814 -2.525 8.029 1.00 0.00 H new ATOM 0 HB2 ASN B 8 1.960 -0.704 10.328 1.00 0.00 H new ATOM 0 HB3 ASN B 8 2.901 -2.174 10.490 1.00 0.00 H new ATOM 0 HD21 ASN B 8 5.956 -0.534 10.066 1.00 0.00 H new ATOM 0 HD22 ASN B 8 5.030 -1.892 10.714 1.00 0.00 H new ATOM 1009 N GLY B 9 0.754 -3.865 8.312 1.00 0.00 N ATOM 1010 CA GLY B 9 -0.416 -4.690 8.558 1.00 0.00 C ATOM 1011 C GLY B 9 -0.093 -5.925 9.372 1.00 0.00 C ATOM 1012 O GLY B 9 0.998 -6.043 9.930 1.00 0.00 O ATOM 0 H GLY B 9 1.476 -4.301 7.738 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -1.169 -4.100 9.081 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -0.852 -4.990 7.605 1.00 0.00 H new ATOM 1016 N LYS B 10 -1.043 -6.852 9.438 1.00 0.00 N ATOM 1017 CA LYS B 10 -0.854 -8.086 10.187 1.00 0.00 C ATOM 1018 C LYS B 10 0.040 -9.051 9.418 1.00 0.00 C ATOM 1019 O LYS B 10 1.058 -9.514 9.930 1.00 0.00 O ATOM 1020 CB LYS B 10 -2.205 -8.746 10.473 1.00 0.00 C ATOM 1021 CG LYS B 10 -3.155 -7.867 11.271 1.00 0.00 C ATOM 1022 CD LYS B 10 -4.484 -8.563 11.520 1.00 0.00 C ATOM 1023 CE LYS B 10 -5.193 -8.896 10.219 1.00 0.00 C ATOM 1024 NZ LYS B 10 -6.508 -9.559 10.454 1.00 0.00 N ATOM 0 H LYS B 10 -1.951 -6.771 8.981 1.00 0.00 H new ATOM 0 HA LYS B 10 -0.370 -7.840 11.132 1.00 0.00 H new ATOM 0 HB2 LYS B 10 -2.677 -9.012 9.527 1.00 0.00 H new ATOM 0 HB3 LYS B 10 -2.038 -9.675 11.018 1.00 0.00 H new ATOM 0 HG2 LYS B 10 -2.696 -7.606 12.224 1.00 0.00 H new ATOM 0 HG3 LYS B 10 -3.327 -6.934 10.734 1.00 0.00 H new ATOM 0 HD2 LYS B 10 -4.315 -9.478 12.088 1.00 0.00 H new ATOM 0 HD3 LYS B 10 -5.122 -7.923 12.129 1.00 0.00 H new ATOM 0 HE2 LYS B 10 -5.345 -7.982 9.645 1.00 0.00 H new ATOM 0 HE3 LYS B 10 -4.560 -9.549 9.618 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 -6.959 -9.769 9.541 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 -6.361 -10.444 10.980 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 -7.122 -8.926 11.006 1.00 0.00 H new ATOM 1038 N THR B 11 -0.358 -9.360 8.188 1.00 0.00 N ATOM 1039 CA THR B 11 0.383 -10.275 7.342 1.00 0.00 C ATOM 1040 C THR B 11 1.079 -9.538 6.208 1.00 0.00 C ATOM 1041 O THR B 11 1.635 -10.161 5.304 1.00 0.00 O ATOM 1042 CB THR B 11 -0.575 -11.310 6.763 1.00 0.00 C ATOM 1043 OG1 THR B 11 -1.774 -10.692 6.334 1.00 0.00 O ATOM 1044 CG2 THR B 11 -0.945 -12.407 7.734 1.00 0.00 C ATOM 0 H THR B 11 -1.201 -8.982 7.755 1.00 0.00 H new ATOM 0 HA THR B 11 1.146 -10.764 7.948 1.00 0.00 H new ATOM 0 HB THR B 11 -0.038 -11.762 5.929 1.00 0.00 H new ATOM 0 HG1 THR B 11 -2.508 -11.340 6.373 1.00 0.00 H new ATOM 0 HG21 THR B 11 -1.629 -13.105 7.251 1.00 0.00 H new ATOM 0 HG22 THR B 11 -0.045 -12.937 8.044 1.00 0.00 H new ATOM 0 HG23 THR B 11 -1.429 -11.971 8.608 1.00 0.00 H new ATOM 1052 N LEU B 12 1.038 -8.212 6.246 1.00 0.00 N ATOM 1053 CA LEU B 12 1.661 -7.418 5.206 1.00 0.00 C ATOM 1054 C LEU B 12 2.384 -6.206 5.779 1.00 0.00 C ATOM 1055 O LEU B 12 1.877 -5.526 6.672 1.00 0.00 O ATOM 1056 CB LEU B 12 0.613 -6.978 4.182 1.00 0.00 C ATOM 1057 CG LEU B 12 1.158 -6.147 3.027 1.00 0.00 C ATOM 1058 CD1 LEU B 12 2.333 -6.867 2.394 1.00 0.00 C ATOM 1059 CD2 LEU B 12 0.068 -5.881 1.999 1.00 0.00 C ATOM 0 H LEU B 12 0.583 -7.671 6.981 1.00 0.00 H new ATOM 0 HA LEU B 12 2.406 -8.041 4.712 1.00 0.00 H new ATOM 0 HB2 LEU B 12 0.128 -7.865 3.775 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -0.156 -6.401 4.695 1.00 0.00 H new ATOM 0 HG LEU B 12 1.499 -5.184 3.408 1.00 0.00 H new ATOM 0 HD11 LEU B 12 2.722 -6.272 1.568 1.00 0.00 H new ATOM 0 HD12 LEU B 12 3.116 -7.010 3.139 1.00 0.00 H new ATOM 0 HD13 LEU B 12 2.006 -7.837 2.020 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.476 -5.286 1.182 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -0.303 -6.829 1.608 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -0.751 -5.337 2.470 1.00 0.00 H new ATOM 1071 N LYS B 13 3.567 -5.939 5.242 1.00 0.00 N ATOM 1072 CA LYS B 13 4.374 -4.806 5.673 1.00 0.00 C ATOM 1073 C LYS B 13 5.128 -4.216 4.490 1.00 0.00 C ATOM 1074 O LYS B 13 5.536 -4.941 3.583 1.00 0.00 O ATOM 1075 CB LYS B 13 5.364 -5.223 6.763 1.00 0.00 C ATOM 1076 CG LYS B 13 4.719 -5.953 7.928 1.00 0.00 C ATOM 1077 CD LYS B 13 4.605 -7.445 7.662 1.00 0.00 C ATOM 1078 CE LYS B 13 3.939 -8.167 8.823 1.00 0.00 C ATOM 1079 NZ LYS B 13 3.804 -9.628 8.565 1.00 0.00 N ATOM 0 H LYS B 13 3.991 -6.497 4.501 1.00 0.00 H new ATOM 0 HA LYS B 13 3.704 -4.051 6.084 1.00 0.00 H new ATOM 0 HB2 LYS B 13 6.127 -5.864 6.322 1.00 0.00 H new ATOM 0 HB3 LYS B 13 5.872 -4.335 7.139 1.00 0.00 H new ATOM 0 HG2 LYS B 13 5.307 -5.788 8.831 1.00 0.00 H new ATOM 0 HG3 LYS B 13 3.728 -5.539 8.113 1.00 0.00 H new ATOM 0 HD2 LYS B 13 4.030 -7.611 6.751 1.00 0.00 H new ATOM 0 HD3 LYS B 13 5.597 -7.863 7.493 1.00 0.00 H new ATOM 0 HE2 LYS B 13 4.523 -8.011 9.730 1.00 0.00 H new ATOM 0 HE3 LYS B 13 2.953 -7.737 9.000 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 2.903 -9.968 8.958 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 3.823 -9.803 7.540 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 4.592 -10.135 9.017 1.00 0.00 H new ATOM 1093 N GLY B 14 5.312 -2.902 4.496 1.00 0.00 N ATOM 1094 CA GLY B 14 6.020 -2.258 3.408 1.00 0.00 C ATOM 1095 C GLY B 14 6.127 -0.758 3.579 1.00 0.00 C ATOM 1096 O GLY B 14 5.849 -0.226 4.653 1.00 0.00 O ATOM 0 H GLY B 14 4.986 -2.274 5.231 1.00 0.00 H new ATOM 0 HA2 GLY B 14 7.021 -2.682 3.332 1.00 0.00 H new ATOM 0 HA3 GLY B 14 5.509 -2.476 2.470 1.00 0.00 H new ATOM 1100 N GLU B 15 6.531 -0.079 2.514 1.00 0.00 N ATOM 1101 CA GLU B 15 6.674 1.368 2.542 1.00 0.00 C ATOM 1102 C GLU B 15 6.424 1.958 1.158 1.00 0.00 C ATOM 1103 O GLU B 15 6.723 1.334 0.140 1.00 0.00 O ATOM 1104 CB GLU B 15 8.066 1.752 3.046 1.00 0.00 C ATOM 1105 CG GLU B 15 8.402 1.134 4.395 1.00 0.00 C ATOM 1106 CD GLU B 15 9.770 1.542 4.908 1.00 0.00 C ATOM 1107 OE1 GLU B 15 9.973 2.747 5.165 1.00 0.00 O ATOM 1108 OE2 GLU B 15 10.637 0.655 5.055 1.00 0.00 O ATOM 0 H GLU B 15 6.766 -0.509 1.619 1.00 0.00 H new ATOM 0 HA GLU B 15 5.931 1.777 3.227 1.00 0.00 H new ATOM 0 HB2 GLU B 15 8.810 1.439 2.314 1.00 0.00 H new ATOM 0 HB3 GLU B 15 8.132 2.837 3.123 1.00 0.00 H new ATOM 0 HG2 GLU B 15 7.645 1.428 5.122 1.00 0.00 H new ATOM 0 HG3 GLU B 15 8.360 0.048 4.312 1.00 0.00 H new ATOM 1115 N THR B 16 5.854 3.155 1.132 1.00 0.00 N ATOM 1116 CA THR B 16 5.535 3.832 -0.119 1.00 0.00 C ATOM 1117 C THR B 16 5.791 5.338 -0.009 1.00 0.00 C ATOM 1118 O THR B 16 6.062 5.844 1.077 1.00 0.00 O ATOM 1119 CB THR B 16 4.084 3.543 -0.514 1.00 0.00 C ATOM 1120 OG1 THR B 16 3.615 4.510 -1.419 1.00 0.00 O ATOM 1121 CG2 THR B 16 3.127 3.504 0.658 1.00 0.00 C ATOM 0 H THR B 16 5.601 3.681 1.969 1.00 0.00 H new ATOM 0 HA THR B 16 6.189 3.447 -0.902 1.00 0.00 H new ATOM 0 HB THR B 16 4.106 2.551 -0.966 1.00 0.00 H new ATOM 0 HG1 THR B 16 3.207 4.065 -2.191 1.00 0.00 H new ATOM 0 HG21 THR B 16 2.120 3.294 0.298 1.00 0.00 H new ATOM 0 HG22 THR B 16 3.434 2.722 1.353 1.00 0.00 H new ATOM 0 HG23 THR B 16 3.137 4.467 1.168 1.00 0.00 H new ATOM 1129 N THR B 17 5.740 6.047 -1.139 1.00 0.00 N ATOM 1130 CA THR B 17 6.001 7.488 -1.140 1.00 0.00 C ATOM 1131 C THR B 17 5.091 8.264 -2.096 1.00 0.00 C ATOM 1132 O THR B 17 5.102 8.042 -3.307 1.00 0.00 O ATOM 1133 CB THR B 17 7.459 7.748 -1.515 1.00 0.00 C ATOM 1134 OG1 THR B 17 7.770 7.146 -2.759 1.00 0.00 O ATOM 1135 CG2 THR B 17 8.444 7.229 -0.490 1.00 0.00 C ATOM 0 H THR B 17 5.523 5.653 -2.054 1.00 0.00 H new ATOM 0 HA THR B 17 5.790 7.844 -0.132 1.00 0.00 H new ATOM 0 HB THR B 17 7.556 8.832 -1.567 1.00 0.00 H new ATOM 0 HG1 THR B 17 6.966 7.117 -3.318 1.00 0.00 H new ATOM 0 HG21 THR B 17 9.460 7.447 -0.819 1.00 0.00 H new ATOM 0 HG22 THR B 17 8.261 7.714 0.469 1.00 0.00 H new ATOM 0 HG23 THR B 17 8.321 6.151 -0.381 1.00 0.00 H new ATOM 1143 N THR B 18 4.320 9.197 -1.532 1.00 0.00 N ATOM 1144 CA THR B 18 3.415 10.043 -2.309 1.00 0.00 C ATOM 1145 C THR B 18 3.972 11.465 -2.397 1.00 0.00 C ATOM 1146 O THR B 18 4.543 11.976 -1.435 1.00 0.00 O ATOM 1147 CB THR B 18 2.030 10.076 -1.658 1.00 0.00 C ATOM 1148 OG1 THR B 18 1.112 10.771 -2.481 1.00 0.00 O ATOM 1149 CG2 THR B 18 2.019 10.741 -0.297 1.00 0.00 C ATOM 0 H THR B 18 4.306 9.386 -0.530 1.00 0.00 H new ATOM 0 HA THR B 18 3.328 9.627 -3.313 1.00 0.00 H new ATOM 0 HB THR B 18 1.744 9.032 -1.533 1.00 0.00 H new ATOM 0 HG1 THR B 18 1.315 10.591 -3.423 1.00 0.00 H new ATOM 0 HG21 THR B 18 1.006 10.729 0.106 1.00 0.00 H new ATOM 0 HG22 THR B 18 2.684 10.201 0.377 1.00 0.00 H new ATOM 0 HG23 THR B 18 2.359 11.772 -0.393 1.00 0.00 H new ATOM 1157 N GLU B 19 3.795 12.099 -3.548 1.00 0.00 N ATOM 1158 CA GLU B 19 4.271 13.465 -3.752 1.00 0.00 C ATOM 1159 C GLU B 19 3.108 14.446 -3.640 1.00 0.00 C ATOM 1160 O GLU B 19 2.208 14.445 -4.480 1.00 0.00 O ATOM 1161 CB GLU B 19 4.934 13.585 -5.129 1.00 0.00 C ATOM 1162 CG GLU B 19 5.386 14.994 -5.480 1.00 0.00 C ATOM 1163 CD GLU B 19 6.439 15.529 -4.531 1.00 0.00 C ATOM 1164 OE1 GLU B 19 7.487 14.868 -4.375 1.00 0.00 O ATOM 1165 OE2 GLU B 19 6.219 16.612 -3.951 1.00 0.00 O ATOM 0 H GLU B 19 3.325 11.691 -4.356 1.00 0.00 H new ATOM 0 HA GLU B 19 5.006 13.705 -2.984 1.00 0.00 H new ATOM 0 HB2 GLU B 19 5.796 12.919 -5.164 1.00 0.00 H new ATOM 0 HB3 GLU B 19 4.233 13.240 -5.889 1.00 0.00 H new ATOM 0 HG2 GLU B 19 5.782 15.001 -6.495 1.00 0.00 H new ATOM 0 HG3 GLU B 19 4.523 15.660 -5.470 1.00 0.00 H new ATOM 1172 N ALA B 20 3.113 15.276 -2.596 1.00 0.00 N ATOM 1173 CA ALA B 20 2.035 16.238 -2.395 1.00 0.00 C ATOM 1174 C ALA B 20 2.536 17.539 -1.769 1.00 0.00 C ATOM 1175 O ALA B 20 3.517 17.554 -1.027 1.00 0.00 O ATOM 1176 CB ALA B 20 0.942 15.626 -1.533 1.00 0.00 C ATOM 0 H ALA B 20 3.844 15.300 -1.885 1.00 0.00 H new ATOM 0 HA ALA B 20 1.628 16.484 -3.376 1.00 0.00 H new ATOM 0 HB1 ALA B 20 0.142 16.353 -1.389 1.00 0.00 H new ATOM 0 HB2 ALA B 20 0.543 14.740 -2.026 1.00 0.00 H new ATOM 0 HB3 ALA B 20 1.356 15.346 -0.564 1.00 0.00 H new ATOM 1182 N VAL B 21 1.853 18.628 -2.103 1.00 0.00 N ATOM 1183 CA VAL B 21 2.212 19.960 -1.613 1.00 0.00 C ATOM 1184 C VAL B 21 2.377 19.989 -0.093 1.00 0.00 C ATOM 1185 O VAL B 21 3.126 20.811 0.438 1.00 0.00 O ATOM 1186 CB VAL B 21 1.147 20.997 -2.012 1.00 0.00 C ATOM 1187 CG1 VAL B 21 1.614 22.403 -1.674 1.00 0.00 C ATOM 1188 CG2 VAL B 21 0.811 20.878 -3.490 1.00 0.00 C ATOM 0 H VAL B 21 1.039 18.617 -2.717 1.00 0.00 H new ATOM 0 HA VAL B 21 3.168 20.210 -2.074 1.00 0.00 H new ATOM 0 HB VAL B 21 0.241 20.795 -1.441 1.00 0.00 H new ATOM 0 HG11 VAL B 21 0.847 23.121 -1.964 1.00 0.00 H new ATOM 0 HG12 VAL B 21 1.795 22.478 -0.602 1.00 0.00 H new ATOM 0 HG13 VAL B 21 2.536 22.620 -2.213 1.00 0.00 H new ATOM 0 HG21 VAL B 21 0.056 21.619 -3.752 1.00 0.00 H new ATOM 0 HG22 VAL B 21 1.710 21.050 -4.082 1.00 0.00 H new ATOM 0 HG23 VAL B 21 0.426 19.879 -3.696 1.00 0.00 H new ATOM 1198 N ASP B 22 1.686 19.094 0.603 1.00 0.00 N ATOM 1199 CA ASP B 22 1.780 19.039 2.062 1.00 0.00 C ATOM 1200 C ASP B 22 1.433 17.652 2.592 1.00 0.00 C ATOM 1201 O ASP B 22 1.073 16.756 1.829 1.00 0.00 O ATOM 1202 CB ASP B 22 0.876 20.096 2.699 1.00 0.00 C ATOM 1203 CG ASP B 22 -0.595 19.851 2.425 1.00 0.00 C ATOM 1204 OD1 ASP B 22 -1.121 18.825 2.898 1.00 0.00 O ATOM 1205 OD2 ASP B 22 -1.217 20.689 1.738 1.00 0.00 O ATOM 0 H ASP B 22 1.061 18.403 0.189 1.00 0.00 H new ATOM 0 HA ASP B 22 2.814 19.251 2.335 1.00 0.00 H new ATOM 0 HB2 ASP B 22 1.043 20.110 3.776 1.00 0.00 H new ATOM 0 HB3 ASP B 22 1.153 21.080 2.321 1.00 0.00 H new ATOM 1210 N ALA B 23 1.552 17.482 3.906 1.00 0.00 N ATOM 1211 CA ALA B 23 1.258 16.203 4.542 1.00 0.00 C ATOM 1212 C ALA B 23 -0.189 15.794 4.321 1.00 0.00 C ATOM 1213 O ALA B 23 -0.475 14.635 4.024 1.00 0.00 O ATOM 1214 CB ALA B 23 1.572 16.263 6.030 1.00 0.00 C ATOM 0 H ALA B 23 1.850 18.214 4.550 1.00 0.00 H new ATOM 0 HA ALA B 23 1.893 15.447 4.080 1.00 0.00 H new ATOM 0 HB1 ALA B 23 1.347 15.300 6.489 1.00 0.00 H new ATOM 0 HB2 ALA B 23 2.628 16.493 6.170 1.00 0.00 H new ATOM 0 HB3 ALA B 23 0.966 17.039 6.499 1.00 0.00 H new ATOM 1220 N ALA B 24 -1.100 16.748 4.456 1.00 0.00 N ATOM 1221 CA ALA B 24 -2.517 16.473 4.257 1.00 0.00 C ATOM 1222 C ALA B 24 -2.759 16.018 2.828 1.00 0.00 C ATOM 1223 O ALA B 24 -3.304 14.940 2.591 1.00 0.00 O ATOM 1224 CB ALA B 24 -3.353 17.700 4.582 1.00 0.00 C ATOM 0 H ALA B 24 -0.885 17.715 4.701 1.00 0.00 H new ATOM 0 HA ALA B 24 -2.819 15.674 4.934 1.00 0.00 H new ATOM 0 HB1 ALA B 24 -4.408 17.473 4.427 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -3.192 17.985 5.622 1.00 0.00 H new ATOM 0 HB3 ALA B 24 -3.059 18.523 3.931 1.00 0.00 H new ATOM 1230 N THR B 25 -2.320 16.831 1.872 1.00 0.00 N ATOM 1231 CA THR B 25 -2.460 16.494 0.469 1.00 0.00 C ATOM 1232 C THR B 25 -1.892 15.105 0.226 1.00 0.00 C ATOM 1233 O THR B 25 -2.524 14.264 -0.413 1.00 0.00 O ATOM 1234 CB THR B 25 -1.735 17.526 -0.391 1.00 0.00 C ATOM 1235 OG1 THR B 25 -0.372 17.617 -0.020 1.00 0.00 O ATOM 1236 CG2 THR B 25 -2.330 18.914 -0.297 1.00 0.00 C ATOM 0 H THR B 25 -1.865 17.727 2.048 1.00 0.00 H new ATOM 0 HA THR B 25 -3.515 16.500 0.196 1.00 0.00 H new ATOM 0 HB THR B 25 -1.844 17.173 -1.416 1.00 0.00 H new ATOM 0 HG1 THR B 25 -0.266 17.325 0.909 1.00 0.00 H new ATOM 0 HG21 THR B 25 -1.766 19.596 -0.933 1.00 0.00 H new ATOM 0 HG22 THR B 25 -3.369 18.887 -0.626 1.00 0.00 H new ATOM 0 HG23 THR B 25 -2.285 19.260 0.736 1.00 0.00 H new ATOM 1244 N ALA B 26 -0.709 14.859 0.783 1.00 0.00 N ATOM 1245 CA ALA B 26 -0.078 13.556 0.665 1.00 0.00 C ATOM 1246 C ALA B 26 -0.992 12.511 1.284 1.00 0.00 C ATOM 1247 O ALA B 26 -1.372 11.537 0.636 1.00 0.00 O ATOM 1248 CB ALA B 26 1.283 13.555 1.347 1.00 0.00 C ATOM 0 H ALA B 26 -0.174 15.544 1.317 1.00 0.00 H new ATOM 0 HA ALA B 26 0.081 13.321 -0.387 1.00 0.00 H new ATOM 0 HB1 ALA B 26 1.739 12.570 1.247 1.00 0.00 H new ATOM 0 HB2 ALA B 26 1.925 14.301 0.879 1.00 0.00 H new ATOM 0 HB3 ALA B 26 1.161 13.793 2.404 1.00 0.00 H new ATOM 1254 N GLU B 27 -1.364 12.740 2.544 1.00 0.00 N ATOM 1255 CA GLU B 27 -2.259 11.845 3.263 1.00 0.00 C ATOM 1256 C GLU B 27 -3.480 11.516 2.411 1.00 0.00 C ATOM 1257 O GLU B 27 -3.841 10.350 2.246 1.00 0.00 O ATOM 1258 CB GLU B 27 -2.680 12.497 4.585 1.00 0.00 C ATOM 1259 CG GLU B 27 -3.673 11.683 5.399 1.00 0.00 C ATOM 1260 CD GLU B 27 -5.079 11.751 4.840 1.00 0.00 C ATOM 1261 OE1 GLU B 27 -5.651 12.860 4.804 1.00 0.00 O ATOM 1262 OE2 GLU B 27 -5.605 10.696 4.434 1.00 0.00 O ATOM 0 H GLU B 27 -1.054 13.546 3.088 1.00 0.00 H new ATOM 0 HA GLU B 27 -1.738 10.912 3.478 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -1.790 12.671 5.190 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -3.117 13.473 4.372 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -3.347 10.643 5.428 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -3.677 12.044 6.427 1.00 0.00 H new ATOM 1269 N LYS B 28 -4.106 12.554 1.859 1.00 0.00 N ATOM 1270 CA LYS B 28 -5.278 12.371 1.013 1.00 0.00 C ATOM 1271 C LYS B 28 -4.912 11.560 -0.219 1.00 0.00 C ATOM 1272 O LYS B 28 -5.634 10.642 -0.608 1.00 0.00 O ATOM 1273 CB LYS B 28 -5.862 13.723 0.604 1.00 0.00 C ATOM 1274 CG LYS B 28 -6.347 14.551 1.782 1.00 0.00 C ATOM 1275 CD LYS B 28 -7.353 13.791 2.637 1.00 0.00 C ATOM 1276 CE LYS B 28 -8.702 13.648 1.946 1.00 0.00 C ATOM 1277 NZ LYS B 28 -8.641 12.756 0.756 1.00 0.00 N ATOM 0 H LYS B 28 -3.821 13.525 1.983 1.00 0.00 H new ATOM 0 HA LYS B 28 -6.034 11.828 1.580 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.105 14.288 0.059 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -6.693 13.559 -0.082 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -5.495 14.841 2.397 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -6.804 15.470 1.416 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -6.958 12.802 2.867 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -7.486 14.310 3.586 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -9.430 13.253 2.655 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -9.056 14.632 1.640 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -9.531 12.223 0.676 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -8.502 13.329 -0.101 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -7.848 12.092 0.861 1.00 0.00 H new ATOM 1291 N VAL B 29 -3.772 11.889 -0.820 1.00 0.00 N ATOM 1292 CA VAL B 29 -3.301 11.172 -1.994 1.00 0.00 C ATOM 1293 C VAL B 29 -3.204 9.687 -1.687 1.00 0.00 C ATOM 1294 O VAL B 29 -3.560 8.843 -2.509 1.00 0.00 O ATOM 1295 CB VAL B 29 -1.927 11.692 -2.462 1.00 0.00 C ATOM 1296 CG1 VAL B 29 -1.397 10.853 -3.614 1.00 0.00 C ATOM 1297 CG2 VAL B 29 -2.017 13.159 -2.860 1.00 0.00 C ATOM 0 H VAL B 29 -3.161 12.646 -0.512 1.00 0.00 H new ATOM 0 HA VAL B 29 -4.019 11.339 -2.797 1.00 0.00 H new ATOM 0 HB VAL B 29 -1.228 11.606 -1.630 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -0.427 11.238 -3.928 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -1.289 9.818 -3.291 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -2.094 10.901 -4.450 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -1.038 13.508 -3.187 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -2.733 13.272 -3.674 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -2.345 13.749 -2.004 1.00 0.00 H new ATOM 1307 N VAL B 30 -2.743 9.381 -0.481 1.00 0.00 N ATOM 1308 CA VAL B 30 -2.627 8.003 -0.044 1.00 0.00 C ATOM 1309 C VAL B 30 -4.016 7.387 0.068 1.00 0.00 C ATOM 1310 O VAL B 30 -4.271 6.309 -0.463 1.00 0.00 O ATOM 1311 CB VAL B 30 -1.897 7.905 1.310 1.00 0.00 C ATOM 1312 CG1 VAL B 30 -1.773 6.457 1.757 1.00 0.00 C ATOM 1313 CG2 VAL B 30 -0.526 8.559 1.221 1.00 0.00 C ATOM 0 H VAL B 30 -2.445 10.071 0.209 1.00 0.00 H new ATOM 0 HA VAL B 30 -2.040 7.456 -0.782 1.00 0.00 H new ATOM 0 HB VAL B 30 -2.487 8.437 2.056 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -1.254 6.415 2.715 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -2.767 6.023 1.863 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -1.209 5.894 1.014 1.00 0.00 H new ATOM 0 HG21 VAL B 30 -0.023 8.482 2.185 1.00 0.00 H new ATOM 0 HG22 VAL B 30 0.069 8.055 0.460 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -0.641 9.610 0.955 1.00 0.00 H new ATOM 1323 N LYS B 31 -4.926 8.089 0.745 1.00 0.00 N ATOM 1324 CA LYS B 31 -6.294 7.602 0.889 1.00 0.00 C ATOM 1325 C LYS B 31 -6.884 7.250 -0.463 1.00 0.00 C ATOM 1326 O LYS B 31 -7.521 6.208 -0.622 1.00 0.00 O ATOM 1327 CB LYS B 31 -7.182 8.630 1.583 1.00 0.00 C ATOM 1328 CG LYS B 31 -7.038 8.636 3.092 1.00 0.00 C ATOM 1329 CD LYS B 31 -8.002 9.618 3.731 1.00 0.00 C ATOM 1330 CE LYS B 31 -8.042 9.456 5.243 1.00 0.00 C ATOM 1331 NZ LYS B 31 -8.975 10.424 5.883 1.00 0.00 N ATOM 0 H LYS B 31 -4.742 8.985 1.196 1.00 0.00 H new ATOM 0 HA LYS B 31 -6.255 6.705 1.508 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -6.943 9.622 1.200 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -8.223 8.431 1.326 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -7.223 7.635 3.482 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -6.015 8.899 3.361 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -7.705 10.636 3.481 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -9.001 9.468 3.321 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -8.348 8.440 5.491 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -7.040 9.595 5.649 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -8.972 10.280 6.913 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -8.669 11.395 5.669 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -9.936 10.275 5.515 1.00 0.00 H new ATOM 1345 N GLN B 32 -6.664 8.117 -1.443 1.00 0.00 N ATOM 1346 CA GLN B 32 -7.175 7.878 -2.779 1.00 0.00 C ATOM 1347 C GLN B 32 -6.515 6.625 -3.344 1.00 0.00 C ATOM 1348 O GLN B 32 -7.150 5.811 -4.015 1.00 0.00 O ATOM 1349 CB GLN B 32 -6.899 9.077 -3.687 1.00 0.00 C ATOM 1350 CG GLN B 32 -7.810 9.123 -4.897 1.00 0.00 C ATOM 1351 CD GLN B 32 -9.237 9.460 -4.510 1.00 0.00 C ATOM 1352 OE1 GLN B 32 -9.567 10.619 -4.265 1.00 0.00 O ATOM 1353 NE2 GLN B 32 -10.080 8.440 -4.410 1.00 0.00 N ATOM 0 H GLN B 32 -6.139 8.985 -1.336 1.00 0.00 H new ATOM 0 HA GLN B 32 -8.255 7.736 -2.731 1.00 0.00 H new ATOM 0 HB2 GLN B 32 -7.019 9.996 -3.113 1.00 0.00 H new ATOM 0 HB3 GLN B 32 -5.862 9.043 -4.021 1.00 0.00 H new ATOM 0 HG2 GLN B 32 -7.439 9.865 -5.604 1.00 0.00 H new ATOM 0 HG3 GLN B 32 -7.789 8.159 -5.406 1.00 0.00 H new ATOM 0 HE21 GLN B 32 -9.764 7.494 -4.623 1.00 0.00 H new ATOM 0 HE22 GLN B 32 -11.044 8.602 -4.120 1.00 0.00 H new ATOM 1362 N PHE B 33 -5.228 6.483 -3.040 1.00 0.00 N ATOM 1363 CA PHE B 33 -4.436 5.337 -3.475 1.00 0.00 C ATOM 1364 C PHE B 33 -5.124 4.032 -3.063 1.00 0.00 C ATOM 1365 O PHE B 33 -5.502 3.218 -3.903 1.00 0.00 O ATOM 1366 CB PHE B 33 -3.037 5.438 -2.848 1.00 0.00 C ATOM 1367 CG PHE B 33 -2.029 4.474 -3.402 1.00 0.00 C ATOM 1368 CD1 PHE B 33 -1.525 4.649 -4.680 1.00 0.00 C ATOM 1369 CD2 PHE B 33 -1.575 3.400 -2.644 1.00 0.00 C ATOM 1370 CE1 PHE B 33 -0.592 3.772 -5.195 1.00 0.00 C ATOM 1371 CE2 PHE B 33 -0.641 2.521 -3.160 1.00 0.00 C ATOM 1372 CZ PHE B 33 -0.150 2.708 -4.438 1.00 0.00 C ATOM 0 H PHE B 33 -4.705 7.160 -2.485 1.00 0.00 H new ATOM 0 HA PHE B 33 -4.345 5.338 -4.561 1.00 0.00 H new ATOM 0 HB2 PHE B 33 -2.664 6.453 -2.988 1.00 0.00 H new ATOM 0 HB3 PHE B 33 -3.123 5.275 -1.774 1.00 0.00 H new ATOM 0 HD1 PHE B 33 -1.865 5.480 -5.280 1.00 0.00 H new ATOM 0 HD2 PHE B 33 -1.955 3.251 -1.644 1.00 0.00 H new ATOM 0 HE1 PHE B 33 -0.207 3.920 -6.193 1.00 0.00 H new ATOM 0 HE2 PHE B 33 -0.295 1.689 -2.565 1.00 0.00 H new ATOM 0 HZ PHE B 33 0.579 2.022 -4.843 1.00 0.00 H new ATOM 1382 N PHE B 34 -5.289 3.862 -1.756 1.00 0.00 N ATOM 1383 CA PHE B 34 -5.937 2.673 -1.200 1.00 0.00 C ATOM 1384 C PHE B 34 -7.419 2.653 -1.539 1.00 0.00 C ATOM 1385 O PHE B 34 -7.979 1.606 -1.859 1.00 0.00 O ATOM 1386 CB PHE B 34 -5.706 2.617 0.304 1.00 0.00 C ATOM 1387 CG PHE B 34 -4.246 2.581 0.626 1.00 0.00 C ATOM 1388 CD1 PHE B 34 -3.418 1.680 -0.022 1.00 0.00 C ATOM 1389 CD2 PHE B 34 -3.696 3.460 1.538 1.00 0.00 C ATOM 1390 CE1 PHE B 34 -2.066 1.656 0.235 1.00 0.00 C ATOM 1391 CE2 PHE B 34 -2.342 3.437 1.804 1.00 0.00 C ATOM 1392 CZ PHE B 34 -1.528 2.535 1.150 1.00 0.00 C ATOM 0 H PHE B 34 -4.982 4.536 -1.055 1.00 0.00 H new ATOM 0 HA PHE B 34 -5.494 1.784 -1.649 1.00 0.00 H new ATOM 0 HB2 PHE B 34 -6.164 3.485 0.778 1.00 0.00 H new ATOM 0 HB3 PHE B 34 -6.194 1.734 0.717 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -3.838 0.988 -0.737 1.00 0.00 H new ATOM 0 HD2 PHE B 34 -4.330 4.171 2.047 1.00 0.00 H new ATOM 0 HE1 PHE B 34 -1.429 0.951 -0.278 1.00 0.00 H new ATOM 0 HE2 PHE B 34 -1.920 4.124 2.523 1.00 0.00 H new ATOM 0 HZ PHE B 34 -0.468 2.518 1.355 1.00 0.00 H new ATOM 1402 N ASN B 35 -8.044 3.819 -1.489 1.00 0.00 N ATOM 1403 CA ASN B 35 -9.459 3.941 -1.819 1.00 0.00 C ATOM 1404 C ASN B 35 -9.741 3.282 -3.167 1.00 0.00 C ATOM 1405 O ASN B 35 -10.773 2.641 -3.362 1.00 0.00 O ATOM 1406 CB ASN B 35 -9.841 5.420 -1.883 1.00 0.00 C ATOM 1407 CG ASN B 35 -11.292 5.634 -2.257 1.00 0.00 C ATOM 1408 OD1 ASN B 35 -11.780 5.098 -3.252 1.00 0.00 O ATOM 1409 ND2 ASN B 35 -11.981 6.444 -1.469 1.00 0.00 N ATOM 0 H ASN B 35 -7.595 4.696 -1.223 1.00 0.00 H new ATOM 0 HA ASN B 35 -10.049 3.443 -1.050 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -9.648 5.883 -0.915 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -9.205 5.924 -2.610 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -12.959 6.647 -1.676 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -11.534 6.865 -0.655 1.00 0.00 H new ATOM 1416 N ASP B 36 -8.803 3.467 -4.087 1.00 0.00 N ATOM 1417 CA ASP B 36 -8.917 2.912 -5.431 1.00 0.00 C ATOM 1418 C ASP B 36 -8.217 1.559 -5.565 1.00 0.00 C ATOM 1419 O ASP B 36 -8.572 0.764 -6.437 1.00 0.00 O ATOM 1420 CB ASP B 36 -8.357 3.896 -6.457 1.00 0.00 C ATOM 1421 CG ASP B 36 -9.127 5.201 -6.485 1.00 0.00 C ATOM 1422 OD1 ASP B 36 -10.347 5.164 -6.752 1.00 0.00 O ATOM 1423 OD2 ASP B 36 -8.511 6.259 -6.243 1.00 0.00 O ATOM 0 H ASP B 36 -7.949 4.001 -3.926 1.00 0.00 H new ATOM 0 HA ASP B 36 -9.978 2.748 -5.622 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -7.311 4.099 -6.228 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -8.384 3.440 -7.447 1.00 0.00 H new ATOM 1428 N ASN B 37 -7.239 1.281 -4.704 1.00 0.00 N ATOM 1429 CA ASN B 37 -6.537 -0.001 -4.761 1.00 0.00 C ATOM 1430 C ASN B 37 -7.374 -1.078 -4.089 1.00 0.00 C ATOM 1431 O ASN B 37 -7.546 -2.171 -4.627 1.00 0.00 O ATOM 1432 CB ASN B 37 -5.166 0.075 -4.078 1.00 0.00 C ATOM 1433 CG ASN B 37 -4.198 1.006 -4.783 1.00 0.00 C ATOM 1434 OD1 ASN B 37 -4.110 1.015 -6.010 1.00 0.00 O ATOM 1435 ND2 ASN B 37 -3.438 1.772 -4.004 1.00 0.00 N ATOM 0 H ASN B 37 -6.919 1.913 -3.971 1.00 0.00 H new ATOM 0 HA ASN B 37 -6.382 -0.248 -5.811 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -5.298 0.410 -3.049 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -4.733 -0.924 -4.035 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -2.749 2.398 -4.421 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -3.544 1.733 -2.990 1.00 0.00 H new ATOM 1442 N GLY B 38 -7.890 -0.734 -2.910 1.00 0.00 N ATOM 1443 CA GLY B 38 -8.725 -1.627 -2.115 1.00 0.00 C ATOM 1444 C GLY B 38 -9.097 -2.941 -2.783 1.00 0.00 C ATOM 1445 O GLY B 38 -8.243 -3.797 -3.014 1.00 0.00 O ATOM 0 H GLY B 38 -7.738 0.178 -2.479 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -8.206 -1.848 -1.182 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -9.642 -1.100 -1.852 1.00 0.00 H new ATOM 1449 N VAL B 39 -10.392 -3.127 -3.017 1.00 0.00 N ATOM 1450 CA VAL B 39 -10.896 -4.377 -3.579 1.00 0.00 C ATOM 1451 C VAL B 39 -11.397 -4.263 -5.019 1.00 0.00 C ATOM 1452 O VAL B 39 -11.906 -5.242 -5.568 1.00 0.00 O ATOM 1453 CB VAL B 39 -12.061 -4.894 -2.726 1.00 0.00 C ATOM 1454 CG1 VAL B 39 -12.487 -6.288 -3.163 1.00 0.00 C ATOM 1455 CG2 VAL B 39 -11.697 -4.875 -1.250 1.00 0.00 C ATOM 0 H VAL B 39 -11.112 -2.430 -2.827 1.00 0.00 H new ATOM 0 HA VAL B 39 -10.045 -5.058 -3.578 1.00 0.00 H new ATOM 0 HB VAL B 39 -12.909 -4.226 -2.876 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -13.314 -6.628 -2.540 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -12.805 -6.261 -4.205 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -11.647 -6.975 -3.057 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -12.537 -5.246 -0.663 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -10.828 -5.511 -1.081 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -11.464 -3.855 -0.946 1.00 0.00 H new ATOM 1465 N ASP B 40 -11.270 -3.102 -5.643 1.00 0.00 N ATOM 1466 CA ASP B 40 -11.738 -2.945 -7.020 1.00 0.00 C ATOM 1467 C ASP B 40 -10.635 -2.420 -7.943 1.00 0.00 C ATOM 1468 O ASP B 40 -10.911 -2.002 -9.067 1.00 0.00 O ATOM 1469 CB ASP B 40 -12.938 -1.999 -7.060 1.00 0.00 C ATOM 1470 CG ASP B 40 -14.108 -2.519 -6.249 1.00 0.00 C ATOM 1471 OD1 ASP B 40 -13.942 -2.719 -5.028 1.00 0.00 O ATOM 1472 OD2 ASP B 40 -15.190 -2.727 -6.836 1.00 0.00 O ATOM 0 H ASP B 40 -10.855 -2.266 -5.231 1.00 0.00 H new ATOM 0 HA ASP B 40 -12.033 -3.931 -7.380 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -12.640 -1.022 -6.679 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -13.251 -1.856 -8.094 1.00 0.00 H new ATOM 1477 N GLY B 41 -9.393 -2.430 -7.466 1.00 0.00 N ATOM 1478 CA GLY B 41 -8.286 -1.935 -8.272 1.00 0.00 C ATOM 1479 C GLY B 41 -7.809 -2.931 -9.315 1.00 0.00 C ATOM 1480 O GLY B 41 -8.196 -4.100 -9.295 1.00 0.00 O ATOM 0 H GLY B 41 -9.132 -2.770 -6.540 1.00 0.00 H new ATOM 0 HA2 GLY B 41 -8.592 -1.015 -8.771 1.00 0.00 H new ATOM 0 HA3 GLY B 41 -7.454 -1.680 -7.616 1.00 0.00 H new ATOM 1484 N GLU B 42 -6.953 -2.459 -10.222 1.00 0.00 N ATOM 1485 CA GLU B 42 -6.399 -3.302 -11.280 1.00 0.00 C ATOM 1486 C GLU B 42 -5.061 -3.889 -10.837 1.00 0.00 C ATOM 1487 O GLU B 42 -4.031 -3.210 -10.870 1.00 0.00 O ATOM 1488 CB GLU B 42 -6.215 -2.492 -12.566 1.00 0.00 C ATOM 1489 CG GLU B 42 -7.507 -1.897 -13.103 1.00 0.00 C ATOM 1490 CD GLU B 42 -7.302 -1.108 -14.383 1.00 0.00 C ATOM 1491 OE1 GLU B 42 -6.146 -1.026 -14.850 1.00 0.00 O ATOM 1492 OE2 GLU B 42 -8.296 -0.574 -14.916 1.00 0.00 O ATOM 0 H GLU B 42 -6.628 -1.493 -10.244 1.00 0.00 H new ATOM 0 HA GLU B 42 -7.096 -4.116 -11.476 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -5.504 -1.687 -12.379 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -5.776 -3.134 -13.330 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -8.223 -2.699 -13.286 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -7.944 -1.246 -12.346 1.00 0.00 H new ATOM 1499 N TRP B 43 -5.089 -5.139 -10.388 1.00 0.00 N ATOM 1500 CA TRP B 43 -3.888 -5.803 -9.899 1.00 0.00 C ATOM 1501 C TRP B 43 -3.257 -6.730 -10.933 1.00 0.00 C ATOM 1502 O TRP B 43 -3.882 -7.689 -11.388 1.00 0.00 O ATOM 1503 CB TRP B 43 -4.222 -6.625 -8.657 1.00 0.00 C ATOM 1504 CG TRP B 43 -4.722 -5.820 -7.501 1.00 0.00 C ATOM 1505 CD1 TRP B 43 -5.414 -4.641 -7.542 1.00 0.00 C ATOM 1506 CD2 TRP B 43 -4.568 -6.147 -6.120 1.00 0.00 C ATOM 1507 NE1 TRP B 43 -5.696 -4.220 -6.265 1.00 0.00 N ATOM 1508 CE2 TRP B 43 -5.186 -5.128 -5.375 1.00 0.00 C ATOM 1509 CE3 TRP B 43 -3.964 -7.207 -5.441 1.00 0.00 C ATOM 1510 CZ2 TRP B 43 -5.217 -5.140 -3.986 1.00 0.00 C ATOM 1511 CZ3 TRP B 43 -3.997 -7.217 -4.064 1.00 0.00 C ATOM 1512 CH2 TRP B 43 -4.620 -6.189 -3.347 1.00 0.00 C ATOM 0 H TRP B 43 -5.932 -5.713 -10.353 1.00 0.00 H new ATOM 0 HA TRP B 43 -3.170 -5.015 -9.671 1.00 0.00 H new ATOM 0 HB2 TRP B 43 -4.975 -7.368 -8.919 1.00 0.00 H new ATOM 0 HB3 TRP B 43 -3.331 -7.170 -8.346 1.00 0.00 H new ATOM 0 HD1 TRP B 43 -5.697 -4.119 -8.444 1.00 0.00 H new ATOM 0 HE1 TRP B 43 -6.203 -3.370 -6.019 1.00 0.00 H new ATOM 0 HE3 TRP B 43 -3.480 -8.004 -5.985 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 -5.697 -4.347 -3.431 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 -3.534 -8.032 -3.528 1.00 0.00 H new ATOM 0 HH2 TRP B 43 -4.629 -6.226 -2.268 1.00 0.00 H new ATOM 1523 N THR B 44 -2.001 -6.459 -11.269 1.00 0.00 N ATOM 1524 CA THR B 44 -1.258 -7.287 -12.211 1.00 0.00 C ATOM 1525 C THR B 44 -0.167 -8.049 -11.460 1.00 0.00 C ATOM 1526 O THR B 44 0.490 -7.492 -10.580 1.00 0.00 O ATOM 1527 CB THR B 44 -0.645 -6.428 -13.317 1.00 0.00 C ATOM 1528 OG1 THR B 44 0.199 -5.430 -12.771 1.00 0.00 O ATOM 1529 CG2 THR B 44 -1.676 -5.732 -14.178 1.00 0.00 C ATOM 0 H THR B 44 -1.474 -5.668 -10.900 1.00 0.00 H new ATOM 0 HA THR B 44 -1.940 -7.998 -12.678 1.00 0.00 H new ATOM 0 HB THR B 44 -0.083 -7.124 -13.940 1.00 0.00 H new ATOM 0 HG1 THR B 44 0.757 -5.822 -12.067 1.00 0.00 H new ATOM 0 HG21 THR B 44 -1.172 -5.140 -14.942 1.00 0.00 H new ATOM 0 HG22 THR B 44 -2.313 -6.476 -14.657 1.00 0.00 H new ATOM 0 HG23 THR B 44 -2.287 -5.078 -13.556 1.00 0.00 H new ATOM 1537 N TYR B 45 0.013 -9.326 -11.784 1.00 0.00 N ATOM 1538 CA TYR B 45 1.014 -10.146 -11.105 1.00 0.00 C ATOM 1539 C TYR B 45 2.151 -10.540 -12.044 1.00 0.00 C ATOM 1540 O TYR B 45 1.935 -10.791 -13.231 1.00 0.00 O ATOM 1541 CB TYR B 45 0.352 -11.400 -10.525 1.00 0.00 C ATOM 1542 CG TYR B 45 1.265 -12.241 -9.661 1.00 0.00 C ATOM 1543 CD1 TYR B 45 2.240 -11.657 -8.861 1.00 0.00 C ATOM 1544 CD2 TYR B 45 1.148 -13.625 -9.641 1.00 0.00 C ATOM 1545 CE1 TYR B 45 3.071 -12.426 -8.070 1.00 0.00 C ATOM 1546 CE2 TYR B 45 1.975 -14.402 -8.852 1.00 0.00 C ATOM 1547 CZ TYR B 45 2.934 -13.798 -8.068 1.00 0.00 C ATOM 1548 OH TYR B 45 3.760 -14.567 -7.279 1.00 0.00 O ATOM 0 H TYR B 45 -0.516 -9.814 -12.507 1.00 0.00 H new ATOM 0 HA TYR B 45 1.443 -9.552 -10.297 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -0.514 -11.100 -9.934 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -0.019 -12.014 -11.346 1.00 0.00 H new ATOM 0 HD1 TYR B 45 2.350 -10.583 -8.858 1.00 0.00 H new ATOM 0 HD2 TYR B 45 0.397 -14.103 -10.253 1.00 0.00 H new ATOM 0 HE1 TYR B 45 3.824 -11.955 -7.456 1.00 0.00 H new ATOM 0 HE2 TYR B 45 1.870 -15.477 -8.850 1.00 0.00 H new ATOM 0 HH TYR B 45 3.396 -14.612 -6.370 1.00 0.00 H new ATOM 1558 N ASP B 46 3.366 -10.599 -11.501 1.00 0.00 N ATOM 1559 CA ASP B 46 4.543 -10.973 -12.278 1.00 0.00 C ATOM 1560 C ASP B 46 5.247 -12.170 -11.645 1.00 0.00 C ATOM 1561 O ASP B 46 6.207 -12.008 -10.891 1.00 0.00 O ATOM 1562 CB ASP B 46 5.509 -9.790 -12.379 1.00 0.00 C ATOM 1563 CG ASP B 46 6.738 -10.116 -13.206 1.00 0.00 C ATOM 1564 OD1 ASP B 46 7.474 -11.051 -12.830 1.00 0.00 O ATOM 1565 OD2 ASP B 46 6.962 -9.436 -14.229 1.00 0.00 O ATOM 0 H ASP B 46 3.560 -10.391 -10.521 1.00 0.00 H new ATOM 0 HA ASP B 46 4.218 -11.252 -13.280 1.00 0.00 H new ATOM 0 HB2 ASP B 46 4.992 -8.939 -12.822 1.00 0.00 H new ATOM 0 HB3 ASP B 46 5.817 -9.490 -11.378 1.00 0.00 H new ATOM 1570 N ASP B 47 4.761 -13.370 -11.949 1.00 0.00 N ATOM 1571 CA ASP B 47 5.339 -14.599 -11.403 1.00 0.00 C ATOM 1572 C ASP B 47 6.863 -14.600 -11.513 1.00 0.00 C ATOM 1573 O ASP B 47 7.557 -15.133 -10.646 1.00 0.00 O ATOM 1574 CB ASP B 47 4.773 -15.821 -12.131 1.00 0.00 C ATOM 1575 CG ASP B 47 3.260 -15.897 -12.054 1.00 0.00 C ATOM 1576 OD1 ASP B 47 2.650 -14.995 -11.442 1.00 0.00 O ATOM 1577 OD2 ASP B 47 2.686 -16.859 -12.605 1.00 0.00 O ATOM 0 H ASP B 47 3.967 -13.520 -12.571 1.00 0.00 H new ATOM 0 HA ASP B 47 5.072 -14.646 -10.347 1.00 0.00 H new ATOM 0 HB2 ASP B 47 5.079 -15.790 -13.177 1.00 0.00 H new ATOM 0 HB3 ASP B 47 5.201 -16.726 -11.700 1.00 0.00 H new ATOM 1582 N ALA B 48 7.376 -14.017 -12.590 1.00 0.00 N ATOM 1583 CA ALA B 48 8.814 -13.966 -12.827 1.00 0.00 C ATOM 1584 C ALA B 48 9.583 -13.457 -11.610 1.00 0.00 C ATOM 1585 O ALA B 48 10.723 -13.860 -11.379 1.00 0.00 O ATOM 1586 CB ALA B 48 9.113 -13.096 -14.040 1.00 0.00 C ATOM 0 H ALA B 48 6.815 -13.571 -13.316 1.00 0.00 H new ATOM 0 HA ALA B 48 9.149 -14.985 -13.018 1.00 0.00 H new ATOM 0 HB1 ALA B 48 10.189 -13.064 -14.209 1.00 0.00 H new ATOM 0 HB2 ALA B 48 8.620 -13.514 -14.918 1.00 0.00 H new ATOM 0 HB3 ALA B 48 8.744 -12.086 -13.863 1.00 0.00 H new ATOM 1592 N THR B 49 8.966 -12.571 -10.836 1.00 0.00 N ATOM 1593 CA THR B 49 9.618 -12.020 -9.652 1.00 0.00 C ATOM 1594 C THR B 49 8.743 -12.153 -8.407 1.00 0.00 C ATOM 1595 O THR B 49 9.006 -11.514 -7.388 1.00 0.00 O ATOM 1596 CB THR B 49 9.974 -10.552 -9.884 1.00 0.00 C ATOM 1597 OG1 THR B 49 8.811 -9.786 -10.144 1.00 0.00 O ATOM 1598 CG2 THR B 49 10.929 -10.343 -11.041 1.00 0.00 C ATOM 0 H THR B 49 8.023 -12.221 -11.004 1.00 0.00 H new ATOM 0 HA THR B 49 10.529 -12.594 -9.481 1.00 0.00 H new ATOM 0 HB THR B 49 10.463 -10.227 -8.966 1.00 0.00 H new ATOM 0 HG1 THR B 49 8.386 -10.106 -10.967 1.00 0.00 H new ATOM 0 HG21 THR B 49 11.140 -9.279 -11.151 1.00 0.00 H new ATOM 0 HG22 THR B 49 11.858 -10.879 -10.847 1.00 0.00 H new ATOM 0 HG23 THR B 49 10.477 -10.720 -11.958 1.00 0.00 H new ATOM 1606 N LYS B 50 7.701 -12.978 -8.489 1.00 0.00 N ATOM 1607 CA LYS B 50 6.796 -13.176 -7.355 1.00 0.00 C ATOM 1608 C LYS B 50 6.364 -11.833 -6.772 1.00 0.00 C ATOM 1609 O LYS B 50 6.226 -11.686 -5.554 1.00 0.00 O ATOM 1610 CB LYS B 50 7.480 -14.010 -6.270 1.00 0.00 C ATOM 1611 CG LYS B 50 7.738 -15.452 -6.673 1.00 0.00 C ATOM 1612 CD LYS B 50 6.438 -16.224 -6.834 1.00 0.00 C ATOM 1613 CE LYS B 50 6.697 -17.692 -7.131 1.00 0.00 C ATOM 1614 NZ LYS B 50 7.492 -17.875 -8.378 1.00 0.00 N ATOM 0 H LYS B 50 7.462 -13.517 -9.321 1.00 0.00 H new ATOM 0 HA LYS B 50 5.913 -13.706 -7.712 1.00 0.00 H new ATOM 0 HB2 LYS B 50 8.429 -13.541 -6.009 1.00 0.00 H new ATOM 0 HB3 LYS B 50 6.861 -13.999 -5.373 1.00 0.00 H new ATOM 0 HG2 LYS B 50 8.295 -15.476 -7.609 1.00 0.00 H new ATOM 0 HG3 LYS B 50 8.360 -15.936 -5.920 1.00 0.00 H new ATOM 0 HD2 LYS B 50 5.845 -16.135 -5.924 1.00 0.00 H new ATOM 0 HD3 LYS B 50 5.851 -15.786 -7.641 1.00 0.00 H new ATOM 0 HE2 LYS B 50 7.227 -18.144 -6.293 1.00 0.00 H new ATOM 0 HE3 LYS B 50 5.746 -18.216 -7.226 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 7.503 -18.882 -8.638 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 7.062 -17.324 -9.148 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 8.466 -17.547 -8.220 1.00 0.00 H new ATOM 1628 N THR B 51 6.177 -10.850 -7.646 1.00 0.00 N ATOM 1629 CA THR B 51 5.787 -9.515 -7.216 1.00 0.00 C ATOM 1630 C THR B 51 4.503 -9.059 -7.902 1.00 0.00 C ATOM 1631 O THR B 51 4.298 -9.305 -9.090 1.00 0.00 O ATOM 1632 CB THR B 51 6.918 -8.528 -7.510 1.00 0.00 C ATOM 1633 OG1 THR B 51 8.100 -8.901 -6.826 1.00 0.00 O ATOM 1634 CG2 THR B 51 6.592 -7.105 -7.118 1.00 0.00 C ATOM 0 H THR B 51 6.289 -10.954 -8.654 1.00 0.00 H new ATOM 0 HA THR B 51 5.597 -9.546 -6.143 1.00 0.00 H new ATOM 0 HB THR B 51 7.057 -8.566 -8.590 1.00 0.00 H new ATOM 0 HG1 THR B 51 8.372 -9.799 -7.109 1.00 0.00 H new ATOM 0 HG21 THR B 51 7.438 -6.460 -7.355 1.00 0.00 H new ATOM 0 HG22 THR B 51 5.713 -6.768 -7.668 1.00 0.00 H new ATOM 0 HG23 THR B 51 6.389 -7.060 -6.048 1.00 0.00 H new ATOM 1642 N PHE B 52 3.646 -8.387 -7.140 1.00 0.00 N ATOM 1643 CA PHE B 52 2.382 -7.883 -7.664 1.00 0.00 C ATOM 1644 C PHE B 52 2.427 -6.364 -7.799 1.00 0.00 C ATOM 1645 O PHE B 52 2.987 -5.675 -6.950 1.00 0.00 O ATOM 1646 CB PHE B 52 1.227 -8.277 -6.739 1.00 0.00 C ATOM 1647 CG PHE B 52 1.120 -9.755 -6.484 1.00 0.00 C ATOM 1648 CD1 PHE B 52 2.010 -10.391 -5.634 1.00 0.00 C ATOM 1649 CD2 PHE B 52 0.123 -10.504 -7.088 1.00 0.00 C ATOM 1650 CE1 PHE B 52 1.910 -11.748 -5.392 1.00 0.00 C ATOM 1651 CE2 PHE B 52 0.017 -11.861 -6.848 1.00 0.00 C ATOM 1652 CZ PHE B 52 0.911 -12.484 -5.999 1.00 0.00 C ATOM 0 H PHE B 52 3.805 -8.178 -6.154 1.00 0.00 H new ATOM 0 HA PHE B 52 2.222 -8.325 -8.648 1.00 0.00 H new ATOM 0 HB2 PHE B 52 1.348 -7.763 -5.786 1.00 0.00 H new ATOM 0 HB3 PHE B 52 0.291 -7.926 -7.174 1.00 0.00 H new ATOM 0 HD1 PHE B 52 2.791 -9.820 -5.155 1.00 0.00 H new ATOM 0 HD2 PHE B 52 -0.579 -10.023 -7.753 1.00 0.00 H new ATOM 0 HE1 PHE B 52 2.612 -12.232 -4.729 1.00 0.00 H new ATOM 0 HE2 PHE B 52 -0.765 -12.434 -7.324 1.00 0.00 H new ATOM 0 HZ PHE B 52 0.829 -13.544 -5.810 1.00 0.00 H new ATOM 1662 N THR B 53 1.822 -5.842 -8.861 1.00 0.00 N ATOM 1663 CA THR B 53 1.788 -4.401 -9.084 1.00 0.00 C ATOM 1664 C THR B 53 0.360 -3.871 -9.063 1.00 0.00 C ATOM 1665 O THR B 53 -0.490 -4.303 -9.841 1.00 0.00 O ATOM 1666 CB THR B 53 2.469 -4.029 -10.402 1.00 0.00 C ATOM 1667 OG1 THR B 53 2.161 -4.967 -11.416 1.00 0.00 O ATOM 1668 CG2 THR B 53 3.974 -3.925 -10.292 1.00 0.00 C ATOM 0 H THR B 53 1.350 -6.393 -9.578 1.00 0.00 H new ATOM 0 HA THR B 53 2.339 -3.935 -8.267 1.00 0.00 H new ATOM 0 HB THR B 53 2.078 -3.044 -10.658 1.00 0.00 H new ATOM 0 HG1 THR B 53 1.605 -4.539 -12.100 1.00 0.00 H new ATOM 0 HG21 THR B 53 4.392 -3.658 -11.263 1.00 0.00 H new ATOM 0 HG22 THR B 53 4.233 -3.158 -9.562 1.00 0.00 H new ATOM 0 HG23 THR B 53 4.383 -4.884 -9.972 1.00 0.00 H new ATOM 1676 N VAL B 54 0.120 -2.912 -8.178 1.00 0.00 N ATOM 1677 CA VAL B 54 -1.188 -2.289 -8.054 1.00 0.00 C ATOM 1678 C VAL B 54 -1.191 -0.959 -8.792 1.00 0.00 C ATOM 1679 O VAL B 54 -0.771 0.064 -8.251 1.00 0.00 O ATOM 1680 CB VAL B 54 -1.572 -2.061 -6.577 1.00 0.00 C ATOM 1681 CG1 VAL B 54 -2.959 -1.447 -6.469 1.00 0.00 C ATOM 1682 CG2 VAL B 54 -1.498 -3.367 -5.800 1.00 0.00 C ATOM 0 H VAL B 54 0.821 -2.548 -7.532 1.00 0.00 H new ATOM 0 HA VAL B 54 -1.924 -2.963 -8.493 1.00 0.00 H new ATOM 0 HB VAL B 54 -0.859 -1.362 -6.141 1.00 0.00 H new ATOM 0 HG11 VAL B 54 -3.209 -1.295 -5.419 1.00 0.00 H new ATOM 0 HG12 VAL B 54 -2.974 -0.489 -6.988 1.00 0.00 H new ATOM 0 HG13 VAL B 54 -3.690 -2.117 -6.923 1.00 0.00 H new ATOM 0 HG21 VAL B 54 -1.772 -3.188 -4.760 1.00 0.00 H new ATOM 0 HG22 VAL B 54 -2.187 -4.090 -6.237 1.00 0.00 H new ATOM 0 HG23 VAL B 54 -0.482 -3.760 -5.845 1.00 0.00 H new ATOM 1692 N THR B 55 -1.644 -0.980 -10.043 1.00 0.00 N ATOM 1693 CA THR B 55 -1.666 0.227 -10.854 1.00 0.00 C ATOM 1694 C THR B 55 -2.936 1.037 -10.620 1.00 0.00 C ATOM 1695 O THR B 55 -4.023 0.645 -11.043 1.00 0.00 O ATOM 1696 CB THR B 55 -1.525 -0.116 -12.336 1.00 0.00 C ATOM 1697 OG1 THR B 55 -0.476 -1.046 -12.537 1.00 0.00 O ATOM 1698 CG2 THR B 55 -1.224 1.096 -13.189 1.00 0.00 C ATOM 0 H THR B 55 -1.998 -1.814 -10.511 1.00 0.00 H new ATOM 0 HA THR B 55 -0.817 0.839 -10.551 1.00 0.00 H new ATOM 0 HB THR B 55 -2.486 -0.535 -12.635 1.00 0.00 H new ATOM 0 HG1 THR B 55 -0.402 -1.255 -13.492 1.00 0.00 H new ATOM 0 HG21 THR B 55 -1.134 0.793 -14.232 1.00 0.00 H new ATOM 0 HG22 THR B 55 -2.032 1.821 -13.090 1.00 0.00 H new ATOM 0 HG23 THR B 55 -0.288 1.549 -12.861 1.00 0.00 H new ATOM 1706 N GLU B 56 -2.784 2.171 -9.943 1.00 0.00 N ATOM 1707 CA GLU B 56 -3.909 3.051 -9.645 1.00 0.00 C ATOM 1708 C GLU B 56 -4.729 3.341 -10.902 1.00 0.00 C ATOM 1709 O GLU B 56 -4.131 3.766 -11.912 1.00 0.00 O ATOM 1710 CB GLU B 56 -3.401 4.361 -9.039 1.00 0.00 C ATOM 1711 CG GLU B 56 -4.499 5.370 -8.746 1.00 0.00 C ATOM 1712 CD GLU B 56 -5.518 4.848 -7.756 1.00 0.00 C ATOM 1713 OE1 GLU B 56 -6.151 3.813 -8.048 1.00 0.00 O ATOM 1714 OE2 GLU B 56 -5.684 5.475 -6.688 1.00 0.00 O ATOM 1715 OXT GLU B 56 -5.961 3.141 -10.861 1.00 0.00 O ATOM 0 H GLU B 56 -1.887 2.504 -9.589 1.00 0.00 H new ATOM 0 HA GLU B 56 -4.555 2.546 -8.926 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -2.868 4.140 -8.114 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -2.681 4.811 -9.722 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -4.053 6.284 -8.355 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -5.003 5.634 -9.676 1.00 0.00 H new TER 1722 GLU B 56